6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol

C13H14F6O — CID 116535882

IUPAC6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F6O/c1-11(20,6-3-7-12(14,15)16)9-4-2-5-10(8-9)13(17,18)19/h2,4-5,8,20H,3,6-7H2,1H3
InChIKeyDSKVMVWKEGHULE-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.65
Rot. Bonds4

About 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol

6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol (PubChem CID 116535882) has the molecular formula C13H14F6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
PubChem CID116535882
Molecular FormulaC13H14F6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F6O/c1-11(20,6-3-7-12(14,15)16)9-4-2-5-10(8-9)13(17,18)19/h2,4-5,8,20H,3,6-7H2,1H3
InChIKeyDSKVMVWKEGHULE-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12053
Cumene Hydroperoxide
CID 6629
p-Cymen-8-ol
CID 14529
3-Methylbenzyl alcohol
CID 11476
3-Hydroxy-3-phenyl-1-butyne
CID 92098
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
CID 69933
2-Phenylbutan-2-ol
CID 15283
alpha,alpha-Dicyclopropyl-4-fluorobenzenemethanol
CID 44095

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol (CID 116535882) is 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol is CC(O)(CCCC(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol?
The InChIKey is DSKVMVWKEGHULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6O/c1-11(20,6-3-7-12(14,15)16)9-4-2-5-10(8-9)13(17,18)19/h2,4-5,8,20H,3,6-7H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol?
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol has a molecular weight of 300.24 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol is sourced from PubChem (CID 116535882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).