(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol

C15H20F3NO — CID 105103094

IUPAC(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCC1CCC(C(O)c2ccc(C(F)(F)F)cn2)CC1C
InChIInChI=1S/C15H20F3NO/c1-9-3-4-11(7-10(9)2)14(20)13-6-5-12(8-19-13)15(16,17)18/h5-6,8-11,14,20H,3-4,7H2,1-2H3
InChIKeyZCZUKLMREPYSOF-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.21
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol

(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 105103094) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID105103094
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCC1CCC(C(O)c2ccc(C(F)(F)F)cn2)CC1C
InChIInChI=1S/C15H20F3NO/c1-9-3-4-11(7-10(9)2)14(20)13-6-5-12(8-19-13)15(16,17)18/h5-6,8-11,14,20H,3-4,7H2,1-2H3
InChIKeyZCZUKLMREPYSOF-UHFFFAOYSA-N
XLogP4.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105157141
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351175
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105157245
N-(3,4-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64742884
(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 105132059
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 105112544
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
[2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105311054
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol (CID 105103094) is (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol is CC1CCC(C(O)c2ccc(C(F)(F)F)cn2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is ZCZUKLMREPYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-9-3-4-11(7-10(9)2)14(20)13-6-5-12(8-19-13)15(16,17)18/h5-6,8-11,14,20H,3-4,7H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 105103094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).