1-(2-chloro-5-fluorophenyl)piperidin-4-one

C11H11ClFNO — CID 107528737

IUPAC1-(2-chloro-5-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-10-2-1-8(13)7-11(10)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKeyAADCBQYOMMIHRE-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.65
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)piperidin-4-one

1-(2-chloro-5-fluorophenyl)piperidin-4-one (PubChem CID 107528737) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)piperidin-4-one
PubChem CID107528737
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(2-chloro-5-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-10-2-1-8(13)7-11(10)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKeyAADCBQYOMMIHRE-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)piperidin-4-one (CID 107528737) is 1-(2-chloro-5-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)piperidin-4-one is O=C1CCN(c2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)piperidin-4-one?
The InChIKey is AADCBQYOMMIHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-10-2-1-8(13)7-11(10)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)piperidin-4-one?
1-(2-chloro-5-fluorophenyl)piperidin-4-one has a molecular weight of 227.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 107528737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).