(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C12H13F4N3O — CID 97325616

IUPAC(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCN(c1ncccc1F)[C@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C12H13F4N3O/c1-18(10-8(13)3-2-5-17-10)9-4-6-19(11(9)20)7-12(14,15)16/h2-3,5,9H,4,6-7H2,1H3/t9-/m0/s1
InChIKeyUNDWBGQCUGSARG-VIFPVBQESA-N
MW291.25 g/mol
LogP1.82
Rot. Bonds3

About (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 97325616) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID97325616
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC Name(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCN(c1ncccc1F)[C@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C12H13F4N3O/c1-18(10-8(13)3-2-5-17-10)9-4-6-19(11(9)20)7-12(14,15)16/h2-3,5,9H,4,6-7H2,1H3/t9-/m0/s1
InChIKeyUNDWBGQCUGSARG-VIFPVBQESA-N
XLogP1.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 97325616) is (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CN(c1ncccc1F)[C@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is UNDWBGQCUGSARG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13F4N3O/c1-18(10-8(13)3-2-5-17-10)9-4-6-19(11(9)20)7-12(14,15)16/h2-3,5,9H,4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 291.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 97325616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).