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

C11H11BrFNO — CID 112705482

IUPAC1-(3-bromo-4-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C11H11BrFNO/c12-10-7-8(1-2-11(10)13)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKeyQXIASWFMBNHLPI-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.76
Rot. Bonds1

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

1-(3-bromo-4-fluorophenyl)piperidin-4-one (PubChem CID 112705482) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)piperidin-4-one
PubChem CID112705482
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(3-bromo-4-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C11H11BrFNO/c12-10-7-8(1-2-11(10)13)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKeyQXIASWFMBNHLPI-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)piperidin-4-one (CID 112705482) is 1-(3-bromo-4-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)piperidin-4-one is O=C1CCN(c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)piperidin-4-one?
The InChIKey is QXIASWFMBNHLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-10-7-8(1-2-11(10)13)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)piperidin-4-one?
1-(3-bromo-4-fluorophenyl)piperidin-4-one has a molecular weight of 272.12 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 112705482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).