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Molecule
ID:97490
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄F₆
Molecular Mass
162.0332192
Exact Mass
161.99041932
Charge
0
InChI
InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
InChIKey
LGPPATCNSOSOQH-UHFFFAOYSA-N
Canonic Smiles
FC(=C(F)F)C(=C(F)F)F
Isomeric Smiles
FC(=C(C(=C(F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.5431651
LogD (pH = 7.4)
1.5431651
Log P
1.5431651
Molar Refractivity
42.8092
Polarizability
7.4278183
Polar Surface Area
0.0
Rotatable Bonds
1
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
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Apollo Scientific
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05221990
Apollo Scientific
PC4650
Academic Data
PubChem
69636
Names and Identifiers
Synonyms
Hexafluorobuta-1,3-diene
Perfluorobuta-1,3-diene 97%
HEXAFLUOROBUTADIENE-1,3
IUPAC name
hexafluorobuta-1,3-diene
IUPAC Traditional name
hexafluorobuta-1,3-diene
Registration numbers
MDL Number
MFCD00039273
CAS Number
685-63-2
EC Number
211-681-0
PubChem SID
162084097
PubChem CID
69636
Properties
Physical Property
Melting Point
-132.1°C
Source
Boiling Point
6°C
Source
Density
1.553
Source
Refractive Index
1.378
Source
Safety Information
Storage Warning
Flammable/Toxic/Corrosive
Source
European Hazard Symbols
Flammable (F)
Source
Safety Statements
S:
9
-
16
-
29
Source
MSDS Link
Download link
Source
Risk Statements
R:
10
Source
Product Information
Certificate of Analysis
Download link
Source
Molecule Details
MP Biomedicals
05221990
MP Biomedicals Rare Chemical collection
Apollo Scientific
PC4650
Cylinder - 1/4" NPT connection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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MDL Number
•
CAS Number
•
EC Number
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PubChem SID
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PubChem CID