1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone

C14H10F3NO2 — CID 58774793

IUPAC1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H10F3NO2/c1-9(19)11-6-4-7-12(18-11)10-5-2-3-8-13(10)20-14(15,16)17/h2-8H,1H3
InChIKeySCXBLTLUTXVZGT-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.85
Rot. Bonds3

About 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone

1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone (PubChem CID 58774793) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone
PubChem CID58774793
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H10F3NO2/c1-9(19)11-6-4-7-12(18-11)10-5-2-3-8-13(10)20-14(15,16)17/h2-8H,1H3
InChIKeySCXBLTLUTXVZGT-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]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 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone (CID 58774793) is 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone?
The InChIKey is SCXBLTLUTXVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-9(19)11-6-4-7-12(18-11)10-5-2-3-8-13(10)20-14(15,16)17/h2-8H,1H3.
What are the key properties of 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone?
1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone has a molecular weight of 281.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58774793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).