2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone

C13H7F4NO — CID 59161928

IUPAC2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone
SMILESO=C(c1ccc(-c2ccc(F)cn2)cc1)C(F)(F)F
InChIInChI=1S/C13H7F4NO/c14-10-5-6-11(18-7-10)8-1-3-9(4-2-8)12(19)13(15,16)17/h1-7H
InChIKeyQBMWCPZERZPUAE-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.63
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone

2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone (PubChem CID 59161928) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone
PubChem CID59161928
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone
SMILESO=C(c1ccc(-c2ccc(F)cn2)cc1)C(F)(F)F
InChIInChI=1S/C13H7F4NO/c14-10-5-6-11(18-7-10)8-1-3-9(4-2-8)12(19)13(15,16)17/h1-7H
InChIKeyQBMWCPZERZPUAE-UHFFFAOYSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone (CID 59161928) is 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone is O=C(c1ccc(-c2ccc(F)cn2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone?
The InChIKey is QBMWCPZERZPUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-10-5-6-11(18-7-10)8-1-3-9(4-2-8)12(19)13(15,16)17/h1-7H.
What are the key properties of 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone?
2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone has a molecular weight of 269.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone is sourced from PubChem (CID 59161928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).