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Molecule
ID:6535
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₅H₆F₆O₂
Molecular Mass
212.0903592
Exact Mass
212.02719875
Charge
0
InChI
InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2
InChIKey
IELVMUPSWDZWSD-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(CO)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(C(C(CO)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.320308
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.893249
LogD (pH = 7.4)
0.89324385
Log P
0.89324903
Molar Refractivity
28.5576
Polarizability
11.09706
Polar Surface Area
40.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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IUPAC name
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Synonyms
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IUPAC Traditional name
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Physical Property
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Molecular Spectra
Molecule Details
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Apollo Scientific
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References
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
001228
Apollo Scientific
PC4770
Sigma Aldrich
H8803
Enamine
EN300-87257
Academic Data
PubChem
67831
Names and Identifiers
IUPAC name
2,2,3,3,4,4-hexafluoropentane-1,5-diol
Synonyms
2,2,3,3,4,4-Hexafluoro-1,5-pentanediol
2,2,3,3,4,4-Hexafluoropentane-1,5-diol 98%
2,2,3,3,4,4-Hexafluoro-1,5-pentanediol
2,2,3,3,4,4-六氟-1,5-戊二醇
2,2,3,3,4,4-hexafluoropentane-1,5-diol
IUPAC Traditional name
2,2,3,3,4,4-hexafluoropentane-1,5-diol
Registration numbers
CAS Number
376-90-9
MDL Number
MFCD00042434
PubChem SID
24895828
160969842
EC Number
206-819-1
PubChem CID
67831
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT, TOXIC
Source
Irritant
Source
TSCA Listed
false
Source
Safety Statements
36
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
European Hazard Symbols
Harmful (Xn)
Source
Risk Statements
22
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Signal Word
Warning
Source
German water hazard class
3
Source
RTECS
SA0750000
Source
GHS Hazard statements
H302
Source
Physical Property
Melting Point
77°C
Source
78-81 °C(lit.)
Source
80 - 81°C
Source
Flash Point
>110°C
Source
Boiling Point
110-112°C/10mm
Source
111.5 °C/10 mmHg(lit.)
Source
Hydrophobicity(logP)
0.0030
Source
Product Information
Purity
98%
Source
95%
Source
Linear Formula
HOCH2(CF2)3CH2OH
Source
Molecule Details
Apollo Scientific
PC4770
Soluble in water.
Sigma Aldrich
H8803
Packaging
1, 5 g in glass bottle
Application
Used for the preparation of cyclic and acyclic polyfluorosiloxanes as precursors to per- and polyfluoroethers.1,2
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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CAS Number
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MDL Number
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PubChem SID
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EC Number
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PubChem CID
Harmful (Xn)