1-(3-chloro-4-fluorobenzoyl)piperidin-4-one

C12H11ClFNO2 — CID 10611056

IUPAC1-(3-chloro-4-fluorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H11ClFNO2/c13-10-7-8(1-2-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyFODGPXWJTNUVJU-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.28
Rot. Bonds1

About 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one

1-(3-chloro-4-fluorobenzoyl)piperidin-4-one (PubChem CID 10611056) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorobenzoyl)piperidin-4-one
PubChem CID10611056
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name1-(3-chloro-4-fluorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H11ClFNO2/c13-10-7-8(1-2-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyFODGPXWJTNUVJU-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one?
The IUPAC name of 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one (CID 10611056) is 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one?
The canonical SMILES for 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one?
The InChIKey is FODGPXWJTNUVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c13-10-7-8(1-2-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2.
What are the key properties of 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one?
1-(3-chloro-4-fluorobenzoyl)piperidin-4-one has a molecular weight of 255.68 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorobenzoyl)piperidin-4-one is sourced from PubChem (CID 10611056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).