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

C14H15ClF4O — CID 115983401

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15ClF4O/c15-12-9(2-1-3-11(12)16)8-13(20)6-4-10(5-7-13)14(17,18)19/h1-3,10,20H,4-8H2
InChIKeyOHRSEQIRGGHKDT-UHFFFAOYSA-N
MW310.72 g/mol
LogP4.51
Rot. Bonds2

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

1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 115983401) has the molecular formula C14H15ClF4O and a molecular weight of 310.72 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID115983401
Molecular FormulaC14H15ClF4O
Molecular Weight310.72 g/mol
Exact Mass310.07
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15ClF4O/c15-12-9(2-1-3-11(12)16)8-13(20)6-4-10(5-7-13)14(17,18)19/h1-3,10,20H,4-8H2
InChIKeyOHRSEQIRGGHKDT-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 112652969
1-[(2,3-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107307766
7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 112653152
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 115983401) is 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is OC1(Cc2cccc(F)c2Cl)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OHRSEQIRGGHKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF4O/c15-12-9(2-1-3-11(12)16)8-13(20)6-4-10(5-7-13)14(17,18)19/h1-3,10,20H,4-8H2.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 310.72 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 115983401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).