1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone

C15H13F2NO2 — CID 172651092

IUPAC1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC(F)F)c(-c2cccnc2)c1
InChIInChI=1S/C15H13F2NO2/c1-10(19)11-4-5-14(20-9-15(16)17)13(7-11)12-3-2-6-18-8-12/h2-8,15H,9H2,1H3
InChIKeyPBXXXHKIALNFFC-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone

1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone (PubChem CID 172651092) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone
PubChem CID172651092
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC(F)F)c(-c2cccnc2)c1
InChIInChI=1S/C15H13F2NO2/c1-10(19)11-4-5-14(20-9-15(16)17)13(7-11)12-3-2-6-18-8-12/h2-8,15H,9H2,1H3
InChIKeyPBXXXHKIALNFFC-UHFFFAOYSA-N
XLogP3.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]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-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone (CID 172651092) is 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone is CC(=O)c1ccc(OCC(F)F)c(-c2cccnc2)c1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone?
The InChIKey is PBXXXHKIALNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-10(19)11-4-5-14(20-9-15(16)17)13(7-11)12-3-2-6-18-8-12/h2-8,15H,9H2,1H3.
What are the key properties of 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone?
1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone has a molecular weight of 277.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone is sourced from PubChem (CID 172651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).