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Molecule
ID:9381
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₆F₂
Molecular Mass
80.0765464
Exact Mass
80.04375663
Charge
0
InChI
InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3
InChIKey
YZXSQDNPKVBDOG-UHFFFAOYSA-N
Canonic Smiles
CC(F)(F)C
Isomeric Smiles
CC(C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.8996792
LogD (pH = 7.4)
0.8996792
Log P
0.8996792
Molar Refractivity
16.4654
Polarizability
5.888153
Polar Surface Area
0.0
Rotatable Bonds
0
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
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
•
MDL Number
•
CAS Number
•
PubChem SID
•
PubChem CID
Properties
•
Safety Information
•
Product Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
Apollo Scientific
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC2877E
Matrix Scientific
005604
Academic Data
PubChem
67895
Names and Identifiers
IUPAC Traditional name
propane, 2,2-difluoro-
Synonyms
2,2-Difluoropropane
2,2-Difluoropropane 97%
IUPAC name
2,2-difluoropropane
Registration numbers
MDL Number
MFCD00039267
CAS Number
420-45-1
PubChem SID
160972688
PubChem CID
67895
Molecule Details
Apollo Scientific
PC2877E
Cylinder - 1/4" NPT connection
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Safety Information
MSDS Link
Download link
Source
Storage Warning
GAS, FLAMMABLE
Source
Flammable
Source
TSCA Listed
false
Source
Product Information
Purity
97%
Source
Physical Property
-1°C
Source
0.92
Source
Boiling Point
Density