1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol

C15H19ClF3NO — CID 106971445

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(c2ccc(C(F)(F)F)nc2Cl)C1
InChIInChI=1S/C15H19ClF3NO/c1-9-6-13(2,3)8-14(21,7-9)10-4-5-11(15(17,18)19)20-12(10)16/h4-5,9,21H,6-8H2,1-3H3
InChIKeyIYNVMABNHNIUKZ-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.79
Rot. Bonds1

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 106971445) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol
PubChem CID106971445
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(c2ccc(C(F)(F)F)nc2Cl)C1
InChIInChI=1S/C15H19ClF3NO/c1-9-6-13(2,3)8-14(21,7-9)10-4-5-11(15(17,18)19)20-12(10)16/h4-5,9,21H,6-8H2,1-3H3
InChIKeyIYNVMABNHNIUKZ-UHFFFAOYSA-N
XLogP4.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-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-6-(trifluoromethyl)-3-pyridinyl]-3,3-dimethylcyclohexan-1-ol
CID 106971574
7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 106971642
1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
CID 62811614
(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol
CID 124746878
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol
CID 104514425
3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
CID 10014108
6-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)pyridin-3-amine
CID 82811681
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
2-(1-hydroxy-3,3,5-trimethylcyclohexyl)furan-3-carboxylic acid
CID 107431944

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol (CID 106971445) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol is CC1CC(C)(C)CC(O)(c2ccc(C(F)(F)F)nc2Cl)C1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is IYNVMABNHNIUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-9-6-13(2,3)8-14(21,7-9)10-4-5-11(15(17,18)19)20-12(10)16/h4-5,9,21H,6-8H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 321.77 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 106971445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).