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

C9H15F3N2O — CID 83251704

IUPAC2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6(2)3-7-13-4-8(15)14(7)5-9(10,11)12/h6-7,13H,3-5H2,1-2H3
InChIKeyWNSVRCVCNMYVPC-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.35
Rot. Bonds3

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

2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83251704) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83251704
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6(2)3-7-13-4-8(15)14(7)5-9(10,11)12/h6-7,13H,3-5H2,1-2H3
InChIKeyWNSVRCVCNMYVPC-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83251704) is 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1CC(F)(F)F.
What is the InChIKey of 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is WNSVRCVCNMYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(2)3-7-13-4-8(15)14(7)5-9(10,11)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 224.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83251704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).