(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one

C10H15F2NO — CID 91441810

IUPAC(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
SMILESO=C1CN[C@H](C2CCC(F)C(F)C2)C1
InChIInChI=1S/C10H15F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h6,8-10,13H,1-5H2/t6?,8?,9?,10-/m0/s1
InChIKeyACFRCHNITOVBJE-FCJLCZJYSA-N
MW203.23 g/mol
LogP1.39
Rot. Bonds1

About (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one

(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one (PubChem CID 91441810) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one.

Molecular Properties

Compound Name(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
PubChem CID91441810
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
SMILESO=C1CN[C@H](C2CCC(F)C(F)C2)C1
InChIInChI=1S/C10H15F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h6,8-10,13H,1-5H2/t6?,8?,9?,10-/m0/s1
InChIKeyACFRCHNITOVBJE-FCJLCZJYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-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 (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
The IUPAC name of (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one (CID 91441810) is (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one.
What is the SMILES notation for (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
The canonical SMILES for (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one is O=C1CN[C@H](C2CCC(F)C(F)C2)C1.
What is the InChIKey of (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
The InChIKey is ACFRCHNITOVBJE-FCJLCZJYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h6,8-10,13H,1-5H2/t6?,8?,9?,10-/m0/s1.
What are the key properties of (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one has a molecular weight of 203.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one is sourced from PubChem (CID 91441810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).