2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one

C12H21F3N2O — CID 83260559

IUPAC2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CCCCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-10-16-8-11(18)17(10)6-4-3-5-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyORIVJUVKBNVKBU-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.52
Rot. Bonds6

About 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one

2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (PubChem CID 83260559) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
PubChem CID83260559
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CCCCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-10-16-8-11(18)17(10)6-4-3-5-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyORIVJUVKBNVKBU-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (CID 83260559) is 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1CCCCC(F)(F)F.
What is the InChIKey of 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The InChIKey is ORIVJUVKBNVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)7-10-16-8-11(18)17(10)6-4-3-5-12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one has a molecular weight of 266.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is sourced from PubChem (CID 83260559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).