1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone

C14H10F3NO2 — CID 170916930

IUPAC1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c1-9(19)12-6-3-7-18-13(12)20-11-5-2-4-10(8-11)14(15,16)17/h2-8H,1H3
InChIKeyWJLKWMMGXWZNJD-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.10
Rot. Bonds3

About 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone

1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone (PubChem CID 170916930) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
PubChem CID170916930
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c1-9(19)12-6-3-7-18-13(12)20-11-5-2-4-10(8-11)14(15,16)17/h2-8H,1H3
InChIKeyWJLKWMMGXWZNJD-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12849353
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12894406
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone (CID 170916930) is 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone is CC(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone?
The InChIKey is WJLKWMMGXWZNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-9(19)12-6-3-7-18-13(12)20-11-5-2-4-10(8-11)14(15,16)17/h2-8H,1H3.
What are the key properties of 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone?
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone has a molecular weight of 281.23 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 170916930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).