2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol

C14H12F3NO — CID 22719895

IUPAC2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-6-4-10(5-7-11)13(19)9-12-3-1-2-8-18-12/h1-8,13,19H,9H2
InChIKeyJXNPAHVNZBLWTL-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.38
Rot. Bonds3

About 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol

2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 22719895) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID22719895
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-6-4-10(5-7-11)13(19)9-12-3-1-2-8-18-12/h1-8,13,19H,9H2
InChIKeyJXNPAHVNZBLWTL-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol (CID 22719895) is 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is JXNPAHVNZBLWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)11-6-4-10(5-7-11)13(19)9-12-3-1-2-8-18-12/h1-8,13,19H,9H2.
What are the key properties of 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 267.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 22719895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).