4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one

C6H8F2N2O — CID 84764443

IUPAC4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)(F)F
InChIInChI=1S/C6H8F2N2O/c1-3-4(6(2,7)8)10-5(11)9-3/h1-2H3,(H2,9,10,11)
InChIKeyKNUYAHWCTJYWSF-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.12
Rot. Bonds1

About 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one

4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 84764443) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID84764443
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)(F)F
InChIInChI=1S/C6H8F2N2O/c1-3-4(6(2,7)8)10-5(11)9-3/h1-2H3,(H2,9,10,11)
InChIKeyKNUYAHWCTJYWSF-UHFFFAOYSA-N
XLogP1.12
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one (CID 84764443) is 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1C(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is KNUYAHWCTJYWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-3-4(6(2,7)8)10-5(11)9-3/h1-2H3,(H2,9,10,11).
What are the key properties of 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 162.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84764443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).