3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one

C6H8F2N2O — CID 127011533

IUPAC3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one
SMILESCC(C(F)F)n1cc[nH]c1=O
InChIInChI=1S/C6H8F2N2O/c1-4(5(7)8)10-3-2-9-6(10)11/h2-5H,1H3,(H,9,11)
InChIKeyFKAHYBQKOPKSGO-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.00
Rot. Bonds2

About 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one

3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one (PubChem CID 127011533) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one
PubChem CID127011533
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one
SMILESCC(C(F)F)n1cc[nH]c1=O
InChIInChI=1S/C6H8F2N2O/c1-4(5(7)8)10-3-2-9-6(10)11/h2-5H,1H3,(H,9,11)
InChIKeyFKAHYBQKOPKSGO-UHFFFAOYSA-N
XLogP1.00
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,1-difluoropropan-2-yl)-1H-imidazol-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

2H-Imidazol-2-one, 1-(1,1-dimethylethyl)-1,3-dihydro-
CID 3613300
3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one
CID 123871107
3-methyl-5-(trifluoromethyl)-1H-imidazol-2-one
CID 123963614
3-[(Z)-2-aminoethenyl]-1-(2,2-difluorocyclopropyl)-1-methylurea
CID 169929179
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-ethylimidazol-2-one
CID 80578792
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
CID 80578953
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one
CID 80579013
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propan-2-ylimidazol-2-one
CID 80579557

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one (CID 127011533) is 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one is CC(C(F)F)n1cc[nH]c1=O.
What is the InChIKey of 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one?
The InChIKey is FKAHYBQKOPKSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-4(5(7)8)10-3-2-9-6(10)11/h2-5H,1H3,(H,9,11).
What are the key properties of 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one?
3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one has a molecular weight of 162.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 127011533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).