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Molecule
ID:94128
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(19,20)21)2(12,8(22,23)24)4(14,10(28,29)30)6(17,18)5(15,16)3(1,13)9(25,26)27
InChIKey
SYLFCPLQRJNYJN-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(C(C1(F)C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC1(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(C(F)(F)F)(C(C1(F)F)(C(F)(F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9597726
LogD (pH = 7.4)
5.9597726
Log P
5.9597726
Molar Refractivity
47.7764
Polarizability
19.19154
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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IUPAC Traditional name
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PubChem CID
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From Data Sources
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Data Source
Commercial Catalog
Apollo Scientific
PC1297
Academic Data
PubChem
2776376
Names and Identifiers
Synonyms
Perfluorotetramethylcyclohexane 97%
IUPAC name
1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane
IUPAC Traditional name
1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane
Registration numbers
MDL Number
MFCD09258992
PubChem CID
2776376
PubChem SID
162080783
Properties
Physical Property
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