2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

C20H22F3NO — CID 59729375

IUPAC2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESOC(CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)17-9-6-15(7-10-17)18-11-8-16(13-24-18)19(25)12-14-4-2-1-3-5-14/h6-11,13-14,19,25H,1-5,12H2
InChIKeySPMMLKVIULLCIC-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.77
Rot. Bonds4

About 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (PubChem CID 59729375) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
PubChem CID59729375
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESOC(CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)17-9-6-15(7-10-17)18-11-8-16(13-24-18)19(25)12-14-4-2-1-3-5-14/h6-11,13-14,19,25H,1-5,12H2
InChIKeySPMMLKVIULLCIC-UHFFFAOYSA-N
XLogP5.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The IUPAC name of 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (CID 59729375) is 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.
What is the SMILES notation for 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The canonical SMILES for 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is OC(CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The InChIKey is SPMMLKVIULLCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)17-9-6-15(7-10-17)18-11-8-16(13-24-18)19(25)12-14-4-2-1-3-5-14/h6-11,13-14,19,25H,1-5,12H2.
What are the key properties of 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol has a molecular weight of 349.40 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 59729375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).