4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one

C6H10F2N2O — CID 67256131

IUPAC4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(C(F)F)N(C)C1=O
InChIInChI=1S/C6H10F2N2O/c1-9-3-4(5(7)8)10(2)6(9)11/h4-5H,3H2,1-2H3
InChIKeyPDKJBDVVQIEEHC-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.62
Rot. Bonds1

About 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one

4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one (PubChem CID 67256131) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one
PubChem CID67256131
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(C(F)F)N(C)C1=O
InChIInChI=1S/C6H10F2N2O/c1-9-3-4(5(7)8)10(2)6(9)11/h4-5H,3H2,1-2H3
InChIKeyPDKJBDVVQIEEHC-UHFFFAOYSA-N
XLogP0.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one (CID 67256131) is 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one is CN1CC(C(F)F)N(C)C1=O.
What is the InChIKey of 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one?
The InChIKey is PDKJBDVVQIEEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-9-3-4(5(7)8)10(2)6(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one?
4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 67256131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).