1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one

C11H10Cl2FNO — CID 142798169

IUPAC1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)c(F)c2Cl)CC1
InChIInChI=1S/C11H10Cl2FNO/c12-8-1-2-9(10(13)11(8)14)15-5-3-7(16)4-6-15/h1-2H,3-6H2
InChIKeyDWLPKDJBJXLFLT-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.30
Rot. Bonds1

About 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one

1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one (PubChem CID 142798169) has the molecular formula C11H10Cl2FNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one
PubChem CID142798169
Molecular FormulaC11H10Cl2FNO
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)c(F)c2Cl)CC1
InChIInChI=1S/C11H10Cl2FNO/c12-8-1-2-9(10(13)11(8)14)15-5-3-7(16)4-6-15/h1-2H,3-6H2
InChIKeyDWLPKDJBJXLFLT-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one (CID 142798169) is 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one is O=C1CCN(c2ccc(Cl)c(F)c2Cl)CC1.
What is the InChIKey of 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one?
The InChIKey is DWLPKDJBJXLFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO/c12-8-1-2-9(10(13)11(8)14)15-5-3-7(16)4-6-15/h1-2H,3-6H2.
What are the key properties of 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one?
1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one has a molecular weight of 262.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 142798169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).