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

C11H11BrFNO — CID 24774210

IUPAC1-(4-bromo-3-fluorophenyl)piperidin-2-one
SMILESO=C1CCCCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFNO/c12-9-5-4-8(7-10(9)13)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2
InChIKeyZBKSSTUMJIKQHI-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.11
Rot. Bonds1

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

1-(4-bromo-3-fluorophenyl)piperidin-2-one (PubChem CID 24774210) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)piperidin-2-one
PubChem CID24774210
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(4-bromo-3-fluorophenyl)piperidin-2-one
SMILESO=C1CCCCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFNO/c12-9-5-4-8(7-10(9)13)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2
InChIKeyZBKSSTUMJIKQHI-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)piperidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)piperidin-2-one (CID 24774210) is 1-(4-bromo-3-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)piperidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)piperidin-2-one is O=C1CCCCN1c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)piperidin-2-one?
The InChIKey is ZBKSSTUMJIKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-9-5-4-8(7-10(9)13)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)piperidin-2-one?
1-(4-bromo-3-fluorophenyl)piperidin-2-one has a molecular weight of 272.12 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 24774210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).