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Molecule
ID:6759
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₃F₅
Molecular Mass
134.047936
Exact Mass
134.0154912
Charge
0
InChI
InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3
InChIKey
FDOPVENYMZRARC-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)C)(F)F
Isomeric Smiles
C(C(C)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8410196
LogD (pH = 7.4)
1.8410196
Log P
1.8410196
Molar Refractivity
17.0013
Polarizability
6.1507587
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
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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 Traditional name
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IUPAC name
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MDL Number
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CAS Number
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PubChem CID
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Product Information
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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
001550
Apollo Scientific
PC5702
Academic Data
PubChem
15747
Names and Identifiers
Synonyms
1,1,1,2,2-Pentafluoropropane
1H,1H,1H-Perfluoropropane 97%
1,1,1,2,2-Pentafluoropropane
IUPAC Traditional name
1,1,1,2,2-pentafluoropropane
IUPAC name
1,1,1,2,2-pentafluoropropane
Registration numbers
MDL Number
MFCD00069108
CAS Number
1814-88-6
PubChem CID
15747
PubChem SID
160970066
Molecule Details
Apollo Scientific
PC5702
Cylinder - 1/4" NPT connection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Safety Information
MSDS Link
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Source
Storage Warning
GAS
Source
Flammable/Irritant
Source
TSCA Listed
false
Source
Physical Property
Melting Point
-81.1°C
Source
-81°C
Source
-18.3°C
Source
-18°C
Source
1.176
Source
Product Information
97%
Source
Boiling Point
Density
Purity