(5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H10F3NO — CID 59485901

IUPAC(5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(16)15-9/h1-3,6,9H,4-5H2,(H,15,16)/t9-/m1/s1
InChIKeyAWDWYHOQVSJPRF-SECBINFHSA-N
MW229.20 g/mol
LogP2.66
Rot. Bonds1

About (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

(5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 59485901) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID59485901
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(16)15-9/h1-3,6,9H,4-5H2,(H,15,16)/t9-/m1/s1
InChIKeyAWDWYHOQVSJPRF-SECBINFHSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 59485901) is (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CC[C@H](c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is AWDWYHOQVSJPRF-SECBINFHSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(16)15-9/h1-3,6,9H,4-5H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 59485901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).