1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol

C16H21F3O — CID 63520008

IUPAC1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)CC1CCCCC1
InChIInChI=1S/C16H21F3O/c17-16(18,19)14-8-6-13(7-9-14)11-15(20)10-12-4-2-1-3-5-12/h6-9,12,15,20H,1-5,10-11H2
InChIKeySYMSIYTXDQCIBU-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.58
Rot. Bonds4

About 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol

1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 63520008) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID63520008
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)CC1CCCCC1
InChIInChI=1S/C16H21F3O/c17-16(18,19)14-8-6-13(7-9-14)11-15(20)10-12-4-2-1-3-5-12/h6-9,12,15,20H,1-5,10-11H2
InChIKeySYMSIYTXDQCIBU-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852
1-(2-chloro-3-cyclopropylbutyl)-4-(trifluoromethyl)benzene
CID 83149862
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 150463835

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 63520008) is 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol is OC(Cc1ccc(C(F)(F)F)cc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is SYMSIYTXDQCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c17-16(18,19)14-8-6-13(7-9-14)11-15(20)10-12-4-2-1-3-5-12/h6-9,12,15,20H,1-5,10-11H2.
What are the key properties of 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 286.34 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 63520008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).