1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

C14H9F4NO2 — CID 54000262

IUPAC1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C14H9F4NO2/c1-8(20)9-3-2-4-11(5-9)21-13-12(15)6-10(7-19-13)14(16,17)18/h2-7H,1H3
InChIKeyKLBNYDLBMWNDQW-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.23
Rot. Bonds3

About 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (PubChem CID 54000262) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
PubChem CID54000262
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Name1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C14H9F4NO2/c1-8(20)9-3-2-4-11(5-9)21-13-12(15)6-10(7-19-13)14(16,17)18/h2-7H,1H3
InChIKeyKLBNYDLBMWNDQW-UHFFFAOYSA-N
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 11837154
Nicotinic acid, 3-methylphenyl ester
CID 532681
2-Pyridin-3-ylchromen-4-one
CID 241786
5-Methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16228199
2-(4-Fluorophenyl)-3-(pyridin-4-yl)furan
CID 44572271
2-(Pyridin-4-yl)-4h-chromen-4-one
CID 242586
Methyl 4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarboxylate
CID 1479736
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CID 3730311
1-(3,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5468167
1-(4-Methoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5717022
3-(3-Methoxyphenyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5837372
3-(3-Methoxy-phenyl)-1-pyridin-3-YL-propenone
CID 6258621

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (CID 54000262) is 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is CC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2F)c1.
What is the InChIKey of 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The InChIKey is KLBNYDLBMWNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c1-8(20)9-3-2-4-11(5-9)21-13-12(15)6-10(7-19-13)14(16,17)18/h2-7H,1H3.
What are the key properties of 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone has a molecular weight of 299.22 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is sourced from PubChem (CID 54000262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).