1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one

C11H10BrClFNO — CID 107612307

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2c(Cl)cc(F)cc2Br)CC1
InChIInChI=1S/C11H10BrClFNO/c12-9-5-7(14)6-10(13)11(9)15-3-1-8(16)2-4-15/h5-6H,1-4H2
InChIKeyFMKXORCWHOPQRS-UHFFFAOYSA-N
MW306.56 g/mol
LogP3.41
Rot. Bonds1

About 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one

1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one (PubChem CID 107612307) has the molecular formula C11H10BrClFNO and a molecular weight of 306.56 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one
PubChem CID107612307
Molecular FormulaC11H10BrClFNO
Molecular Weight306.56 g/mol
Exact Mass304.96
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2c(Cl)cc(F)cc2Br)CC1
InChIInChI=1S/C11H10BrClFNO/c12-9-5-7(14)6-10(13)11(9)15-3-1-8(16)2-4-15/h5-6H,1-4H2
InChIKeyFMKXORCWHOPQRS-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one (CID 107612307) is 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one is O=C1CCN(c2c(Cl)cc(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one?
The InChIKey is FMKXORCWHOPQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO/c12-9-5-7(14)6-10(13)11(9)15-3-1-8(16)2-4-15/h5-6H,1-4H2.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one?
1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one has a molecular weight of 306.56 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 107612307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).