1-(3-chloro-2-fluorophenyl)piperidin-4-one

C11H11ClFNO — CID 28969216

IUPAC1-(3-chloro-2-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C11H11ClFNO/c12-9-2-1-3-10(11(9)13)14-6-4-8(15)5-7-14/h1-3H,4-7H2
InChIKeyACRUWCCABVEIBQ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.65
Rot. Bonds1

About 1-(3-chloro-2-fluorophenyl)piperidin-4-one

1-(3-chloro-2-fluorophenyl)piperidin-4-one (PubChem CID 28969216) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)piperidin-4-one
PubChem CID28969216
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(3-chloro-2-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C11H11ClFNO/c12-9-2-1-3-10(11(9)13)14-6-4-8(15)5-7-14/h1-3H,4-7H2
InChIKeyACRUWCCABVEIBQ-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluorophenyl)piperidin-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

Related Compounds

1-(4-chloro-2,3-difluorophenyl)piperidin-4-one
CID 178164351
4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione
CID 63779224
1-(2-hydroxyphenyl)piperidin-4-one
CID 71419745
1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
CID 60862142
1-(2-iodophenyl)piperidin-4-one
CID 28978342
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088
1-(5-bromo-2-chlorophenyl)piperidin-4-one
CID 62915587
1-(2-fluorophenyl)pyrrolidin-3-one
CID 23052790
4-(3-chloro-2-fluorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897852
3-tert-butyl-1-(3-chloro-2-fluorophenyl)piperazine
CID 64925681
3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
CID 155165313
1-[2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-one
CID 178164366

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)piperidin-4-one (CID 28969216) is 1-(3-chloro-2-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)piperidin-4-one is O=C1CCN(c2cccc(Cl)c2F)CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)piperidin-4-one?
The InChIKey is ACRUWCCABVEIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-9-2-1-3-10(11(9)13)14-6-4-8(15)5-7-14/h1-3H,4-7H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)piperidin-4-one?
1-(3-chloro-2-fluorophenyl)piperidin-4-one has a molecular weight of 227.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 28969216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).