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

C6H5F3N2O — CID 23343221

IUPAC1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one
SMILESO=C(Cc1cnc(F)[nH]1)C(F)F
InChIInChI=1S/C6H5F3N2O/c7-5(8)4(12)1-3-2-10-6(9)11-3/h2,5H,1H2,(H,10,11)
InChIKeyBBFUBPLLVJKMEI-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.93
Rot. Bonds3

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

1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one (PubChem CID 23343221) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one
PubChem CID23343221
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one
SMILESO=C(Cc1cnc(F)[nH]1)C(F)F
InChIInChI=1S/C6H5F3N2O/c7-5(8)4(12)1-3-2-10-6(9)11-3/h2,5H,1H2,(H,10,11)
InChIKeyBBFUBPLLVJKMEI-UHFFFAOYSA-N
XLogP0.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-3-(2-fluoro-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

Related Compounds

1H-Imidazole-5-acetaldehyde
CID 150841
3-(1H-imidazol-4-yl)propylamine bis(trifluoroacetate)
CID 86659210
2-(1H-imidazol-4-yl)acetamide
CID 14742544
3-(Imidazol-5-yl)pyruvate
CID 23615390
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
CID 42625386
4-(1,1,2,2,3,3,3-Heptafluoropropyl)-1H-imidazole
CID 576202
4-Imidazolyl-3-amino-2-butanone
CID 193603
2-Amino-1-(1H-imidazol-4-yl)pentan-3-one
CID 10820978
Histidine-fluoride
CID 54364625
4-(1H-Imidazol-5-yl)butanamide
CID 45120741
3-(1H-imidazol-4-yl)propanamide
CID 565498
3-Amino-4-(1H-imidazol-4-YL)-butan-2-one 2hcl
CID 45260587

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one?
The IUPAC name of 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one (CID 23343221) is 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one?
The canonical SMILES for 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one is O=C(Cc1cnc(F)[nH]1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one?
The InChIKey is BBFUBPLLVJKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-5(8)4(12)1-3-2-10-6(9)11-3/h2,5H,1H2,(H,10,11).
What are the key properties of 1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one?
1,1-difluoro-3-(2-fluoro-1H-imidazol-5-yl)propan-2-one has a molecular weight of 178.11 g/mol, XLogP of 0.93, 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-(2-fluoro-1H-imidazol-5-yl)propan-2-one is sourced from PubChem (CID 23343221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).