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

C5H6F2N2O — CID 84763043

IUPAC4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one
SMILESCC(F)(F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H6F2N2O/c1-5(6,7)3-2-8-4(10)9-3/h2H,1H3,(H2,8,9,10)
InChIKeyUUFIAKXDQYMPIH-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.81
Rot. Bonds1

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

4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one (PubChem CID 84763043) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one
PubChem CID84763043
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one
SMILESCC(F)(F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H6F2N2O/c1-5(6,7)3-2-8-4(10)9-3/h2H,1H3,(H2,8,9,10)
InChIKeyUUFIAKXDQYMPIH-UHFFFAOYSA-N
XLogP0.81
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.81
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)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one (CID 84763043) is 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one is CC(F)(F)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is UUFIAKXDQYMPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-5(6,7)3-2-8-4(10)9-3/h2H,1H3,(H2,8,9,10).
What are the key properties of 4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one?
4-(1,1-difluoroethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 148.11 g/mol, XLogP of 0.81, 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)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84763043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).