(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one

C17H15F3N2O — CID 124677286

IUPAC(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1NC[C@H](c2ccccc2)[C@H]1Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)12-6-7-21-13(8-12)9-14-15(10-22-16(14)23)11-4-2-1-3-5-11/h1-8,14-15H,9-10H2,(H,22,23)/t14-,15-/m1/s1
InChIKeyYYBBIKNCSRBTEO-HUUCEWRRSA-N
MW320.31 g/mol
LogP3.17
Rot. Bonds3

About (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one

(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 124677286) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID124677286
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1NC[C@H](c2ccccc2)[C@H]1Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)12-6-7-21-13(8-12)9-14-15(10-22-16(14)23)11-4-2-1-3-5-11/h1-8,14-15H,9-10H2,(H,22,23)/t14-,15-/m1/s1
InChIKeyYYBBIKNCSRBTEO-HUUCEWRRSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 124677286) is (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one is O=C1NC[C@H](c2ccccc2)[C@H]1Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is YYBBIKNCSRBTEO-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)12-6-7-21-13(8-12)9-14-15(10-22-16(14)23)11-4-2-1-3-5-11/h1-8,14-15H,9-10H2,(H,22,23)/t14-,15-/m1/s1.
What are the key properties of (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 320.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124677286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).