1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone

C14H10F3NO2 — CID 175454937

IUPAC1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F3NO2/c1-9(19)10-2-4-11(5-3-10)20-12-6-7-18-13(8-12)14(15,16)17/h2-8H,1H3
InChIKeyLQHMTQSJCLUMNK-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.10
Rot. Bonds3

About 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone

1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone (PubChem CID 175454937) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
PubChem CID175454937
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F3NO2/c1-9(19)10-2-4-11(5-3-10)20-12-6-7-18-13(8-12)14(15,16)17/h2-8H,1H3
InChIKeyLQHMTQSJCLUMNK-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

Analyze 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
4-(4-acetylphenoxy)benzoic acid
CID 60723234
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
1-[4-[4-[1-[4-(4-acetylphenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]phenyl]ethanone
CID 56999322
4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
CID 167343978
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
CID 176900313
(Z)-3-hydroxy-2-methyl-1,3-bis[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-one
CID 167430172

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone (CID 175454937) is 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2ccnc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone?
The InChIKey is LQHMTQSJCLUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-9(19)10-2-4-11(5-3-10)20-12-6-7-18-13(8-12)14(15,16)17/h2-8H,1H3.
What are the key properties of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone?
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]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-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone is sourced from PubChem (CID 175454937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).