2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C13H14ClF3O — CID 21082583

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESOC1CCCCC1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3O/c14-11-6-5-8(7-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h5-7,9,12,18H,1-4H2
InChIKeyXGNKUCVYSIVXJZ-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.38
Rot. Bonds1

About 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 21082583) has the molecular formula C13H14ClF3O and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID21082583
Molecular FormulaC13H14ClF3O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESOC1CCCCC1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3O/c14-11-6-5-8(7-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h5-7,9,12,18H,1-4H2
InChIKeyXGNKUCVYSIVXJZ-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107289990
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
2-[4-chloro-3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3508914
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
CID 94299802
(4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252733
trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 26595178
2-naphthalen-2-ylcyclohexan-1-ol
CID 2793882
cis-(1R,2R)-2-naphthalen-2-ylcyclohexan-1-ol
CID 68819847
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 21082583) is 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is OC1CCCCC1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is XGNKUCVYSIVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3O/c14-11-6-5-8(7-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h5-7,9,12,18H,1-4H2.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 278.70 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 21082583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).