1-(3-bromo-5-fluorophenyl)piperidin-4-one

C11H11BrFNO — CID 121456121

IUPAC1-(3-bromo-5-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C11H11BrFNO/c12-8-5-9(13)7-10(6-8)14-3-1-11(15)2-4-14/h5-7H,1-4H2
InChIKeyMXOVVLIIHMPACD-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.76
Rot. Bonds1

About 1-(3-bromo-5-fluorophenyl)piperidin-4-one

1-(3-bromo-5-fluorophenyl)piperidin-4-one (PubChem CID 121456121) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)piperidin-4-one
PubChem CID121456121
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(3-bromo-5-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C11H11BrFNO/c12-8-5-9(13)7-10(6-8)14-3-1-11(15)2-4-14/h5-7H,1-4H2
InChIKeyMXOVVLIIHMPACD-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-5-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)piperidin-4-one (CID 121456121) is 1-(3-bromo-5-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)piperidin-4-one is O=C1CCN(c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)piperidin-4-one?
The InChIKey is MXOVVLIIHMPACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-8-5-9(13)7-10(6-8)14-3-1-11(15)2-4-14/h5-7H,1-4H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)piperidin-4-one?
1-(3-bromo-5-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-5-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 121456121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).