2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol

C14H18F3NO — CID 102707348

IUPAC2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3NO/c1-9-3-4-10(2)13(19,7-9)12-8-18-6-5-11(12)14(15,16)17/h5-6,8-10,19H,3-4,7H2,1-2H3
InChIKeyVLRQPRFTPRPCIK-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.74
Rot. Bonds1

About 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol

2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol (PubChem CID 102707348) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
PubChem CID102707348
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3NO/c1-9-3-4-10(2)13(19,7-9)12-8-18-6-5-11(12)14(15,16)17/h5-6,8-10,19H,3-4,7H2,1-2H3
InChIKeyVLRQPRFTPRPCIK-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol
CID 106823883
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
CID 107287447
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707349
9,9-dioxo-3-[4-(trifluoromethyl)-3-pyridinyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171954379
3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
CID 102707376
1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
CID 112706938
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 82805530
2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
CID 64755422
5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol
CID 63968166
1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755424

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
The IUPAC name of 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol (CID 102707348) is 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
The canonical SMILES for 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol is CC1CCC(C)C(O)(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
The InChIKey is VLRQPRFTPRPCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-3-4-10(2)13(19,7-9)12-8-18-6-5-11(12)14(15,16)17/h5-6,8-10,19H,3-4,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 102707348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).