1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H10F3NO — CID 701787

IUPAC1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-4-9(7-8)15-6-2-5-10(15)16/h1,3-4,7H,2,5-6H2
InChIKeyLAJKVKMHNNEDGG-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.83
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 701787) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID701787
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-4-9(7-8)15-6-2-5-10(15)16/h1,3-4,7H,2,5-6H2
InChIKeyLAJKVKMHNNEDGG-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 701787) is 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is LAJKVKMHNNEDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-4-9(7-8)15-6-2-5-10(15)16/h1,3-4,7H,2,5-6H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 701787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).