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Molecule
ID:8933
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆F₁₂O₂
Molecular Mass
332.0438384
Exact Mass
331.97066788
Charge
0
InChI
InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
BCLQALQSEBVVAD-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(OC(C(=O)F)(F)C(F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.242039
LogD (pH = 7.4)
4.242039
Log P
4.242039
Molar Refractivity
34.3607
Polarizability
13.240793
Polar Surface Area
26.3
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC name
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Synonyms
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IUPAC Traditional name
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Apollo Scientific
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC3132G
Matrix Scientific
004968
Alfa Aesar
L16483
Academic Data
PubChem
102740
Names and Identifiers
IUPAC name
2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride
Synonyms
Undecafluoro-(2-methyl-3-oxahexanoyl) fluoride
HFPO dimer
全氟(2-甲基-3-氧杂己基)氟化物
acid fluoride
2-(Heptafluoropropoxy)-2,3,3,3-tetrafluoropropionyl fluoride
Perfluoro(2-methyl-3-oxahexanoyl) fluoride 97%
Perfluoro(2-methyl-3-oxahexanoyl) fluoride
IUPAC Traditional name
2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride
Registration numbers
CAS Number
2062-98-8
75566-60-8
EC Number
218-173-8
MDL Number
MFCD00054657
PubChem SID
160972240
PubChem CID
102740
Molecule Details
Apollo Scientific
PC3132G
HFPO trimer, tetramer, pentamer also available.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
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CAS Number
•
EC Number
•
MDL Number
•
PubChem SID
•
PubChem CID
Properties
Safety Information
MSDS Link
Download link
Source
TSCA Listed
false
Source
是
Source
Storage Warning
CORROSIVE
Source
Corrosive
Source
Moisture Sensitive
Source
8
Source
P260
-
P303+P361+P353
-
P305+P351+P338
-
P301+P330+P331
-
P405
-P501A
Source
34
-
37
Source
UN3265
Source
Corrosive (C)
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
26
-
36/37/39
-
45
-
60
Source
H314
-
H318
-
H335
Source
II
Source
Physical Property
54-56°C
Source
54-56°C
Source
None
Source
1.3000
Source
Product Information
97%
Source
Source
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Hazard Class
GHS Precautionary statements
Risk Statements
UN Number
European Hazard Symbols
GHS Pictograms
Safety Statements
GHS Hazard statements
Packing Group
Boiling Point
Flash Point
Refractive Index
Purity