1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one

C12H12ClF2NO — CID 118110917

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one
SMILESO=C1C(F)CCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClF2NO/c13-10-6-9(14)4-3-8(10)7-16-5-1-2-11(15)12(16)17/h3-4,6,11H,1-2,5,7H2
InChIKeySONGTENZZLQMRK-UHFFFAOYSA-N
MW259.68 g/mol
LogP2.94
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one

1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one (PubChem CID 118110917) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one
PubChem CID118110917
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one
SMILESO=C1C(F)CCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClF2NO/c13-10-6-9(14)4-3-8(10)7-16-5-1-2-11(15)12(16)17/h3-4,6,11H,1-2,5,7H2
InChIKeySONGTENZZLQMRK-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-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 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one (CID 118110917) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one is O=C1C(F)CCCN1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one?
The InChIKey is SONGTENZZLQMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c13-10-6-9(14)4-3-8(10)7-16-5-1-2-11(15)12(16)17/h3-4,6,11H,1-2,5,7H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one?
1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one has a molecular weight of 259.68 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-fluoropiperidin-2-one is sourced from PubChem (CID 118110917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).