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Molecule
ID:100657
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General Information
Structure
Molecular Formula
C₁₀F₁₄
Molecular Mass
386.0846448
Exact Mass
385.97764508
Charge
0
InChI
InChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18
InChIKey
CKGPOWZUEZFLPG-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(c(c(c1C(F)(F)F)F)F)C(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(c1c(c(c(c(c1F)F)C(F)(F)F)F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4393725
LogD (pH = 7.4)
5.4393725
Log P
5.4393725
Molar Refractivity
48.4811
Polarizability
17.281853
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
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Molecule Details
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Data Source
Commercial Catalog
Apollo Scientific
PC9376
Academic Data
PubChem
2776193
Names and Identifiers
IUPAC name
1,2,4,5-tetrafluoro-3-(heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
Synonyms
3-Perfluoroisopropyl-1,2,4,5-tetrafluorobenzotrifluoride
Perfluoro(4-isopropyltoluene)
IUPAC Traditional name
1,2,4,5-tetrafluoro-3-(heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
Registration numbers
PubChem SID
162087354
PubChem CID
2776193
MDL Number
MFCD00155962
CAS Number
20017-49-6
Properties
Safety Information
Storage Warning
Irritant
Source
References
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Bioactivity
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