2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one

C11H13F2NO — CID 177192074

IUPAC2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c([C@H]2CCCC(F)(F)C2)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)4-1-2-8(7-11)10-6-9(15)3-5-14-10/h3,5-6,8H,1-2,4,7H2,(H,14,15)/t8-/m0/s1
InChIKeyWHOYYBYORCVYAX-QMMMGPOBSA-N
MW213.23 g/mol
LogP2.67
Rot. Bonds1

About 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one

2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one (PubChem CID 177192074) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one
PubChem CID177192074
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c([C@H]2CCCC(F)(F)C2)c1
InChIInChI=1S/C11H13F2NO/c12-11(13)4-1-2-8(7-11)10-6-9(15)3-5-14-10/h3,5-6,8H,1-2,4,7H2,(H,14,15)/t8-/m0/s1
InChIKeyWHOYYBYORCVYAX-QMMMGPOBSA-N
XLogP2.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-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 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one?
The IUPAC name of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one (CID 177192074) is 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one is O=c1cc[nH]c([C@H]2CCCC(F)(F)C2)c1.
What is the InChIKey of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one?
The InChIKey is WHOYYBYORCVYAX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)4-1-2-8(7-11)10-6-9(15)3-5-14-10/h3,5-6,8H,1-2,4,7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one?
2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one has a molecular weight of 213.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyridin-4-one is sourced from PubChem (CID 177192074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).