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Molecule
ID:98763
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄F₁₀
Molecular Mass
238.026832
Exact Mass
237.9840322
Charge
0
InChI
InChI=1S/C4F10/c5-1(2(6,7)8,3(9,10)11)4(12,13)14
InChIKey
COQIQRBKEGPRSG-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2213392
LogD (pH = 7.4)
3.2213392
Log P
3.2213392
Molar Refractivity
22.4793
Polarizability
8.626235
Polar Surface Area
0.0
Rotatable Bonds
3
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
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RDKit
•
JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
Registration numbers
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CAS Number
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MDL Number
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PubChem CID
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PubChem SID
Properties
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Apollo Scientific
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC6088W
Academic Data
PubChem
67724
Names and Identifiers
IUPAC name
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane
IUPAC Traditional name
perflisobutane
Synonyms
Perfluoroisobutane 95%
1,1,1,2,3,3,3-Heptafluoro-2-(trifluoromethyl)propane
Decafluoroisobutane
Registration numbers
CAS Number
354-92-7
MDL Number
MFCD00236738
PubChem CID
67724
PubChem SID
162085132
Properties
Safety Information
Storage Warning
Irritant
Source
Physical Property
Boiling Point
0°C
Source
Flash Point
none°C
Source
Molecule Details
Apollo Scientific
PC6088W
Contains up to 5% perfluorobutane. Cylinder - 1/4" NPT connection
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay