3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol

C15H19F3O — CID 107449831

IUPAC3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C15H19F3O/c1-9(2)10-4-3-7-15(19,8-10)11-5-6-12(16)14(18)13(11)17/h5-6,9-10,19H,3-4,7-8H2,1-2H3
InChIKeyAETJYENAGBWXHV-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.14
Rot. Bonds2

About 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol

3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol (PubChem CID 107449831) has the molecular formula C15H19F3O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
PubChem CID107449831
Molecular FormulaC15H19F3O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C15H19F3O/c1-9(2)10-4-3-7-15(19,8-10)11-5-6-12(16)14(18)13(11)17/h5-6,9-10,19H,3-4,7-8H2,1-2H3
InChIKeyAETJYENAGBWXHV-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-propan-2-yl-1-(2,3,4-trifluorophenyl)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-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 62964767
4,4-dimethyl-1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 65085438
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449740
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
3-(2,3,4-trifluorophenyl)piperidin-3-ol
CID 63588689

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol?
The IUPAC name of 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol (CID 107449831) is 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol is CC(C)C1CCCC(O)(c2ccc(F)c(F)c2F)C1.
What is the InChIKey of 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol?
The InChIKey is AETJYENAGBWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O/c1-9(2)10-4-3-7-15(19,8-10)11-5-6-12(16)14(18)13(11)17/h5-6,9-10,19H,3-4,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol?
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol has a molecular weight of 272.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 107449831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).