1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone

C12H13F3N2O — CID 763506

IUPAC1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
SMILESO=C(CC1(C(F)(F)F)NCCN1)c1ccccc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)11(16-6-7-17-11)8-10(18)9-4-2-1-3-5-9/h1-5,16-17H,6-8H2
InChIKeyLKCUWJHVOOLBPH-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.71
Rot. Bonds3

About 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone

1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone (PubChem CID 763506) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
PubChem CID763506
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
SMILESO=C(CC1(C(F)(F)F)NCCN1)c1ccccc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)11(16-6-7-17-11)8-10(18)9-4-2-1-3-5-9/h1-5,16-17H,6-8H2
InChIKeyLKCUWJHVOOLBPH-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The IUPAC name of 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone (CID 763506) is 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone is O=C(CC1(C(F)(F)F)NCCN1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The InChIKey is LKCUWJHVOOLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)11(16-6-7-17-11)8-10(18)9-4-2-1-3-5-9/h1-5,16-17H,6-8H2.
What are the key properties of 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone has a molecular weight of 258.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone is sourced from PubChem (CID 763506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).