2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C14H16F4N2O — CID 83267017

IUPAC2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C14H16F4N2O/c1-9-13(21)20(7-3-6-14(16,17)18)12(19-9)10-4-2-5-11(15)8-10/h2,4-5,8-9,12,19H,3,6-7H2,1H3
InChIKeyLOENBMWMHQKTGC-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83267017) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83267017
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C14H16F4N2O/c1-9-13(21)20(7-3-6-14(16,17)18)12(19-9)10-4-2-5-11(15)8-10/h2,4-5,8-9,12,19H,3,6-7H2,1H3
InChIKeyLOENBMWMHQKTGC-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 114944884
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83268675
2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257662
5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one
CID 83245843
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83254892

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83267017) is 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CC1NC(c2cccc(F)c2)N(CCCC(F)(F)F)C1=O.
What is the InChIKey of 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is LOENBMWMHQKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-9-13(21)20(7-3-6-14(16,17)18)12(19-9)10-4-2-5-11(15)8-10/h2,4-5,8-9,12,19H,3,6-7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 304.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83267017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).