1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one

C6H6F2N2O — CID 23343206

IUPAC1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one
SMILESO=C(Cc1cnc[nH]1)C(F)F
InChIInChI=1S/C6H6F2N2O/c7-6(8)5(11)1-4-2-9-3-10-4/h2-3,6H,1H2,(H,9,10)
InChIKeyAWRYRYSDHVYASF-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.79
Rot. Bonds3

About 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one

1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one (PubChem CID 23343206) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one
PubChem CID23343206
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one
SMILESO=C(Cc1cnc[nH]1)C(F)F
InChIInChI=1S/C6H6F2N2O/c7-6(8)5(11)1-4-2-9-3-10-4/h2-3,6H,1H2,(H,9,10)
InChIKeyAWRYRYSDHVYASF-UHFFFAOYSA-N
XLogP0.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one 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 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one?
The IUPAC name of 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one (CID 23343206) is 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one?
The canonical SMILES for 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one is O=C(Cc1cnc[nH]1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one?
The InChIKey is AWRYRYSDHVYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-6(8)5(11)1-4-2-9-3-10-4/h2-3,6H,1H2,(H,9,10).
What are the key properties of 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one?
1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one has a molecular weight of 160.12 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1H-imidazol-5-yl)propan-2-one is sourced from PubChem (CID 23343206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).