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Molecule
ID:6760
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃HF₅
Molecular Mass
132.032056
Exact Mass
131.99984113
Charge
0
InChI
InChI=1S/C3HF5/c4-2(5)1-3(6,7)8/h1H
InChIKey
QAERDLQYXMEHEB-UHFFFAOYSA-N
Canonic Smiles
FC(=CC(F)(F)F)F
Isomeric Smiles
C(=CC(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.037021
LogD (pH = 7.4)
2.037021
Log P
2.037021
Molar Refractivity
27.7114
Polarizability
5.9083796
Polar Surface Area
0.0
Rotatable Bonds
1
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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Bioactivity
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General Information
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RDKit
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IUPAC name
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MDL Number
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PubChem SID
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PubChem CID
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Molecular Spectra
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
001551
Apollo Scientific
PC5708
Academic Data
PubChem
69647
Names and Identifiers
IUPAC name
1,1,3,3,3-pentafluoroprop-1-ene
Synonyms
1,1,3,3,3-Pentafluoropropene-1
1,1,3,3,3-Pentafluoroprop-1-ene
2H-Perfluoroprop-1-ene 97%
IUPAC Traditional name
1,1,3,3,3-pentafluoroprop-1-ene
Registration numbers
CAS Number
690-27-7
MDL Number
MFCD00042591
PubChem SID
160970067
PubChem CID
69647
Molecule Details
Apollo Scientific
PC5708
Cylinder - 1/4" NPT connection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Physical Property
Melting Point
-153°C
Source
Boiling Point
-21°C
Source
Product Information
Purity
97%
Source
Safety Information
MSDS Link
Download link
Source
GAS
Source
Extremely Flammable
Source
false
Source
Storage Warning
TSCA Listed