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

C14H12F3NO2 — CID 117246453

IUPAC1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESOC(COc1ccccc1C(F)(F)F)c1ccncc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)11-3-1-2-4-13(11)20-9-12(19)10-5-7-18-8-6-10/h1-8,12,19H,9H2
InChIKeyRTUFNBYKBHRBFY-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.21
Rot. Bonds4

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

1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol (PubChem CID 117246453) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
PubChem CID117246453
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESOC(COc1ccccc1C(F)(F)F)c1ccncc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)11-3-1-2-4-13(11)20-9-12(19)10-5-7-18-8-6-10/h1-8,12,19H,9H2
InChIKeyRTUFNBYKBHRBFY-UHFFFAOYSA-N
XLogP3.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
CID 117246462
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117241260
1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117239992
1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 75520357
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol
CID 14500456
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 117242621

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol (CID 117246453) is 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol is OC(COc1ccccc1C(F)(F)F)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is RTUFNBYKBHRBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)11-3-1-2-4-13(11)20-9-12(19)10-5-7-18-8-6-10/h1-8,12,19H,9H2.
What are the key properties of 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol?
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 283.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 117246453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).