2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C15H20F3NO2 — CID 102707932

IUPAC2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCOC(C1CCCCC1)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-21-14(10-5-3-2-4-6-10)13(20)11-9-19-8-7-12(11)15(16,17)18/h7-10,13-14,20H,2-6H2,1H3
InChIKeyOTBWLLDSZNBNBB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.73
Rot. Bonds4

About 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707932) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707932
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCOC(C1CCCCC1)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-21-14(10-5-3-2-4-6-10)13(20)11-9-19-8-7-12(11)15(16,17)18/h7-10,13-14,20H,2-6H2,1H3
InChIKeyOTBWLLDSZNBNBB-UHFFFAOYSA-N
XLogP3.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116756263
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
CID 114686845
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxyethanol
CID 116756379
3-(2-cyclohexyl-1-hydrazinyl-2-methoxyethyl)pyridin-4-amine
CID 105278630

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707932) is 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is COC(C1CCCCC1)C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is OTBWLLDSZNBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-21-14(10-5-3-2-4-6-10)13(20)11-9-19-8-7-12(11)15(16,17)18/h7-10,13-14,20H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 303.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).