(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one

C11H9ClF3NO — CID 86337135

IUPAC(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(F)(F)F)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3NO/c12-7-1-3-8(4-2-7)16-9(11(13,14)15)5-6-10(16)17/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyGDTPGPMSZYBRCR-VIFPVBQESA-N
MW263.65 g/mol
LogP3.40
Rot. Bonds1

About (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one

(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 86337135) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID86337135
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(F)(F)F)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3NO/c12-7-1-3-8(4-2-7)16-9(11(13,14)15)5-6-10(16)17/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyGDTPGPMSZYBRCR-VIFPVBQESA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one (CID 86337135) is (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one is O=C1CC[C@@H](C(F)(F)F)N1c1ccc(Cl)cc1.
What is the InChIKey of (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is GDTPGPMSZYBRCR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-7-1-3-8(4-2-7)16-9(11(13,14)15)5-6-10(16)17/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 263.65 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 86337135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).