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Molecule
ID:7016
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₄F₃I
Molecular Mass
223.9635396
Exact Mass
223.93098279
Charge
0
InChI
InChI=1S/C3H4F3I/c4-3(5,6)1-2-7/h1-2H2
InChIKey
ULIYQAUQKZDZOX-UHFFFAOYSA-N
Canonic Smiles
ICCC(F)(F)F
Isomeric Smiles
C(I)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4445903
LogD (pH = 7.4)
2.4445903
Log P
2.4445903
Molar Refractivity
29.4464
Polarizability
11.481662
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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
Calculated Properties
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RDKit
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JChem
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
Registration numbers
Properties
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Product Information
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Physical Property
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
001899
Apollo Scientific
PC4946
Sigma Aldrich
473820
Alfa Aesar
B23284
Academic Data
PubChem
156165
Names and Identifiers
IUPAC Traditional name
1,1,1-trifluoro-3-iodopropane
IUPAC name
1,1,1-trifluoro-3-iodopropane
Synonyms
3-Iodo-1,1,1-trifluoropropane
3,3,3-Trifluoropropyl iodide
1-Iodo-3,3,3-trifluoropropane 98%
1,1,1-Trifluoro-3-iodopropane
1,1,1-三氟-3-碘丙烷
1-Iodo-3,3,3-trifluoropropane
Registration numbers
PubChem SID
24870936
160970323
CAS Number
460-37-7
MDL Number
MFCD00038531
PubChem CID
156165
Beilstein Number
1698182
EC Number
000-000-0
Molecule Details
Sigma Aldrich
473820
Application
Used in a study of the quarternization of pyrazine, pyridazine, and pyrimidine.2
Packaging
1, 5 g in glass bottle
General description
Formation of polyfluoroalkylimidazolium salts.1
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem SID
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CAS Number
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MDL Number
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PubChem CID
•
Beilstein Number
•
EC Number
Properties
Product Information
Purity
98%
Source
97%
Source
98+%
Source
Linear Formula
ICH2CH2CF3
Source
Physical Property
Refractive Index
1.4220
Source
1.42
Source
n20/D 1.42(lit.)
Source
1.4200
Source
Boiling Point
90°C
Source
80 °C(lit.)
Source
89-90°C
Source
Density
1.911
Source
1.911 g/mL at 25 °C(lit.)
Source
Flash Point
none°C
Source
235.4 °F
Source
113 °C
Source
None
Source
Safety Information
TSCA Listed
false
Source
否
Source
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive
Source
Light Sensitive
Source
MSDS Link
Download link
Source
Download link
Source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Source
3
Source
Personal Protective Equipment
German water hazard class