1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone

C13H7F4NO2 — CID 4128692

IUPAC1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C13H7F4NO2/c1-6(19)7-2-4-8(5-3-7)20-11-9(14)12(16)18-13(17)10(11)15/h2-5H,1H3
InChIKeyQGSOPHRSIVIBBL-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.63
Rot. Bonds3

About 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone

1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone (PubChem CID 4128692) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone
PubChem CID4128692
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C13H7F4NO2/c1-6(19)7-2-4-8(5-3-7)20-11-9(14)12(16)18-13(17)10(11)15/h2-5H,1H3
InChIKeyQGSOPHRSIVIBBL-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-[(2,3,5,6-tetrafluoro-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

(E)-4-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]but-3-en-2-one
CID 949861
Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4191863
1-[4-[(2,3,5-Trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 4128693
1-[4-[(3,5-Difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 4128695
1-[4-[(6-Fluoro-3-pyridinyl)methoxy]phenyl]ethanone
CID 178296679
6-Methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)chromen-4-one
CID 101567646
(2,6-Dimethyl-4-pyridinyl) benzoate
CID 3434266
4-(Benzyloxy)-2,6-diacetylpyridine
CID 10801908
1-(4-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}phenyl)-1-propanone
CID 895302
Methyl 4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]benzoate
CID 4372753
Methyl 4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]benzoate
CID 4372958
Ethyl 2-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4520750

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone (CID 4128692) is 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1.
What is the InChIKey of 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is QGSOPHRSIVIBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c1-6(19)7-2-4-8(5-3-7)20-11-9(14)12(16)18-13(17)10(11)15/h2-5H,1H3.
What are the key properties of 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone?
1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 285.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 4128692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).