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Molecule
ID:10762
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂HCl₂F₃
Molecular Mass
152.9305496
Exact Mass
151.94074005
Charge
0
InChI
InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
InChIKey
OHMHBGPWCHTMQE-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)Cl
Isomeric Smiles
C(C(Cl)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4598112
LogD (pH = 7.4)
2.4598112
Log P
2.4598112
Molar Refractivity
21.8165
Polarizability
8.210518
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Properties
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Related Proteins
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Molecular Spectra
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Bioactivity
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General Information
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RDKit
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IUPAC Traditional name
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IUPAC name
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Bioactivity
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Data Source
Commercial Catalog
Matrix Scientific
007656
Academic Data
Wikipedia
2,2-Dichloro-1,1,1-trifluoroethane
PubChem
9385
Names and Identifiers
IUPAC Traditional name
2,2-dichloro-1,1,1-trifluoroethane
IUPAC name
2,2-dichloro-1,1,1-trifluoroethane
Synonyms
2,2-Dichloro-1,1,1-trifluoroethane
Freon 123, HCFC-123, R 123
Dichlorotrifluoroethane
1,1,1-Trifluoro-2,2-dichloroethane
Dichlorotrifluoromethylmethane
Registration numbers
CAS Number
306-83-2
MDL Number
MFCD00042132
Chemspider ID
9016
EC Number
206-190-3
PubChem CID
9385
Wikipedia Title
2,2-Dichloro-1,1,1-trifluoroethane
PubChem SID
160974069
Molecule Details
Wikipedia
2,2-Dichloro-1,1,1-trifluoroethane
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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Chemspider ID
•
EC Number
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PubChem CID
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Wikipedia Title
•
PubChem SID
Properties
Physical Property
Boiling Point
27.1°C
Source
27.82°C
Source
Melting Point
-107°C
Source
Vapor Pressure
89.3 kPa
Source
Density
1.4638 g/cm
3
Source
Solubility
0.39% in water
Source
Apperance
Colorless liquid
Source
Refractive Index
1.3392
Source
Product Information
Purity
99%
Source
Safety Information
MSDS Link
Download link
Source
Storage Warning
IRRITANT, GAS, OZONE DEPLETER
Source
TSCA Listed
true
Source
NFPA704
0
1
0
Source
KI1108000
Source
RTECS