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

C8H13F3N2O — CID 83260296

IUPAC2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-12-5-7(14)13(6)4-2-3-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyGYPJNTDWYCMZTI-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.11
Rot. Bonds3

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

2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83260296) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83260296
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-12-5-7(14)13(6)4-2-3-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyGYPJNTDWYCMZTI-UHFFFAOYSA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83260296) is 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CC1NCC(=O)N1CCCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is GYPJNTDWYCMZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6-12-5-7(14)13(6)4-2-3-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 210.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83260296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).