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Molecule
ID:95094
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/c4-2-1-3-5/h1-3H2
InChIKey
OOLOYCGJRJFTPM-UHFFFAOYSA-N
Canonic Smiles
FCCCF
Isomeric Smiles
FCCCF
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.6334642
LogD (pH = 7.4)
0.6334642
Log P
0.6334642
Molar Refractivity
16.0348
Polarizability
5.8813596
Polar Surface Area
0.0
Rotatable Bonds
2
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
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
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IUPAC name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
Properties
•
Safety Information
•
Physical Property
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC2877B
Alfa Aesar
L12351
Academic Data
PubChem
68041
Names and Identifiers
IUPAC name
1,3-difluoropropane
Synonyms
1,3-Difluoropropane 97%
1,3-二氟丙烷
1,3-Difluoropropane
IUPAC Traditional name
1,3-difluoropropane
Registration numbers
MDL Number
MFCD00040969
CAS Number
462-39-5
Beilstein Number
1696999
PubChem SID
162081744
PubChem CID
68041
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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MDL Number
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CAS Number
•
Beilstein Number
•
PubChem SID
•
PubChem CID
Properties
Safety Information
Storage Warning
Flammable
Source
TSCA Listed
否
Source
Physical Property
Refractive Index
1.321
Source
1.3210
Source
Boiling Point
40-42°C
Source
40-42°C
Source
1.006
Source
Product Information
97%
Source
Density
Purity