1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone

C9H9F2NO — CID 126484044

IUPAC1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(C)(F)F)nc1
InChIInChI=1S/C9H9F2NO/c1-6(13)7-3-4-8(12-5-7)9(2,10)11/h3-5H,1-2H3
InChIKeyDWCCUZBFAZTRGX-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.40
Rot. Bonds2

About 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone

1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone (PubChem CID 126484044) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone
PubChem CID126484044
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(C)(F)F)nc1
InChIInChI=1S/C9H9F2NO/c1-6(13)7-3-4-8(12-5-7)9(2,10)11/h3-5H,1-2H3
InChIKeyDWCCUZBFAZTRGX-UHFFFAOYSA-N
XLogP2.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(1,1-difluoroethyl)-3-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-(1,1-difluoroethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone (CID 126484044) is 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(C(C)(F)F)nc1.
What is the InChIKey of 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone?
The InChIKey is DWCCUZBFAZTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6(13)7-3-4-8(12-5-7)9(2,10)11/h3-5H,1-2H3.
What are the key properties of 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone?
1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone has a molecular weight of 185.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 126484044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).