1-(2,2-difluoroethyl)-3-methylimidazol-2-one

C6H8F2N2O — CID 116624595

IUPAC1-(2,2-difluoroethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CC(F)F)c1=O
InChIInChI=1S/C6H8F2N2O/c1-9-2-3-10(6(9)11)4-5(7)8/h2-3,5H,4H2,1H3
InChIKeyKKDINCONCBMKDU-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.45
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylimidazol-2-one

1-(2,2-difluoroethyl)-3-methylimidazol-2-one (PubChem CID 116624595) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylimidazol-2-one
PubChem CID116624595
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-(2,2-difluoroethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CC(F)F)c1=O
InChIInChI=1S/C6H8F2N2O/c1-9-2-3-10(6(9)11)4-5(7)8/h2-3,5H,4H2,1H3
InChIKeyKKDINCONCBMKDU-UHFFFAOYSA-N
XLogP0.45
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethyl)-1,4-dimethylimidazol-2-one
CID 21306280
1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone
CID 59609604
3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
1-Tert-butyl-3-(difluoromethyl)imidazol-2-one
CID 167333407
3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide
CID 174851879
(3-Ethyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide
CID 80582821
1-Methyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 115773713
1-Ethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 116624134
1-Ethyl-3-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116624170
1-(Difluoromethyl)-3-ethylimidazol-2-one
CID 116624241
1-Ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
CID 116624294

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylimidazol-2-one (CID 116624595) is 1-(2,2-difluoroethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylimidazol-2-one is Cn1ccn(CC(F)F)c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylimidazol-2-one?
The InChIKey is KKDINCONCBMKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-9-2-3-10(6(9)11)4-5(7)8/h2-3,5H,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylimidazol-2-one?
1-(2,2-difluoroethyl)-3-methylimidazol-2-one has a molecular weight of 162.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 116624595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).