3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one

C9H16F2N2O — CID 83271376

IUPAC3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CC(F)F
InChIInChI=1S/C9H16F2N2O/c1-6(2)3-8-12-4-9(14)13(8)5-7(10)11/h6-8,12H,3-5H2,1-2H3
InChIKeyXVZCFMZYEDKORV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.06
Rot. Bonds4

About 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one

3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83271376) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83271376
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CC(F)F
InChIInChI=1S/C9H16F2N2O/c1-6(2)3-8-12-4-9(14)13(8)5-7(10)11/h6-8,12H,3-5H2,1-2H3
InChIKeyXVZCFMZYEDKORV-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one (CID 83271376) is 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is XVZCFMZYEDKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-6(2)3-8-12-4-9(14)13(8)5-7(10)11/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one?
3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83271376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).