1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C13H12F3NO3 — CID 58915290

IUPAC1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO3/c1-8(18)17-11(6-7-12(17)19)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,11H,6-7H2,1H3
InChIKeyDOVIFZXSIMVFRM-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.80
Rot. Bonds2

About 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one

1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 58915290) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID58915290
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO3/c1-8(18)17-11(6-7-12(17)19)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,11H,6-7H2,1H3
InChIKeyDOVIFZXSIMVFRM-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 58915290) is 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one is CC(=O)N1C(=O)CCC1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is DOVIFZXSIMVFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-8(18)17-11(6-7-12(17)19)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 287.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 58915290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).