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

C11H19F3N2O — CID 83260848

IUPAC2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8(2)6-9-15-7-10(17)16(9)5-3-4-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyHIZXNYHBCHZFIO-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.13
Rot. Bonds5

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

2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83260848) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83260848
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8(2)6-9-15-7-10(17)16(9)5-3-4-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyHIZXNYHBCHZFIO-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.13
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-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83260848) is 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1CCCC(F)(F)F.
What is the InChIKey of 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is HIZXNYHBCHZFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)6-9-15-7-10(17)16(9)5-3-4-11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 252.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83260848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).