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Molecule
ID:97570
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₂F₆
Molecular Mass
152.0383992
Exact Mass
152.00606938
Charge
0
InChI
InChI=1S/C3H2F6/c4-1-2(5,6)3(7,8)9/h1H2
InChIKey
SUAMPXQALWYDBK-UHFFFAOYSA-N
Canonic Smiles
FCC(C(F)(F)F)(F)F
Isomeric Smiles
FCC(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0282536
LogD (pH = 7.4)
2.0282536
Log P
2.0282536
Molar Refractivity
16.6873
Polarizability
6.3130717
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
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JChem
Data Source
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Academic Data
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Commercial Catalog
Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
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MDL Number
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CAS Number
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PubChem SID
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PubChem CID
Properties
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Physical Property
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Apollo Scientific
References
•
PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
PubChem
522282
Commercial Catalog
Apollo Scientific
PC4786
Names and Identifiers
Synonyms
1,1,1,2,2,3-Hexafluoropropane (FC-236cb)
1H,1H-Perfluoropropane 97%
IUPAC name
1,1,1,2,2,3-hexafluoropropane
IUPAC Traditional name
1,1,1,2,2,3-hexafluoropropane
Registration numbers
MDL Number
MFCD00153190
CAS Number
677-56-5
PubChem SID
162084170
PubChem CID
522282
Properties
Physical Property
Boiling Point
-1°C
Source
Flash Point
none°C
Source
Density
1.32
Source
Safety Information
Storage Warning
Irritant
Source
Molecule Details
Apollo Scientific
PC4786
Cylinder - 1/4" NPT connection
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay