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Molecule
ID:97719
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀F₂₀
Molecular Mass
500.075064
Exact Mass
499.9680644
Charge
0
InChI
InChI=1S/C10F20/c11-1(7(20,21)10(28,29)30)4(14,15)2(12,8(22,23)24)6(18,19)3(13,5(1,16)17)9(25,26)27
InChIKey
OPBDICCMIAULLE-UHFFFAOYSA-N
Canonic Smiles
FC(C(C1(F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC1(C(C(C(C(C1(C(F)(F)F)F)(F)F)(F)C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.221436
LogD (pH = 7.4)
6.221436
Log P
6.221436
Molar Refractivity
47.5023
Polarizability
19.188665
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
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Molecule Details
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General Information
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IUPAC name
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IUPAC Traditional name
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From Data Sources
Bioactivity
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Data Source
Academic Data
PubChem
2778370
Commercial Catalog
Apollo Scientific
PC4877
Names and Identifiers
Synonyms
2,4-Bis(trifluoromethyl)-1,1,2,3,3,4,5,5,6-nonafluoro-6-(pentafluoroethyl)cyclohexane
Perfluoro(1,3-dimethyl-5-ethylcyclohexane)
IUPAC name
1,1,2,3,3,4,5,5,6-nonafluoro-2-(pentafluoroethyl)-4,6-bis(trifluoromethyl)cyclohexane
IUPAC Traditional name
1,1,2,3,3,4,5,5,6-nonafluoro-2-(pentafluoroethyl)-4,6-bis(trifluoromethyl)cyclohexane
Registration numbers
MDL Number
MFCD04972337
PubChem CID
2778370
PubChem SID
162084282
Properties
Physical Property
Flash Point
none°C
Source
Boiling Point
144-146°C
Source
Safety Information
Storage Warning
Irritant
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay