1-(4-chloro-2,5-difluorophenyl)piperidin-4-one

C11H10ClF2NO — CID 118904185

IUPAC1-(4-chloro-2,5-difluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(F)c(Cl)cc2F)CC1
InChIInChI=1S/C11H10ClF2NO/c12-8-5-10(14)11(6-9(8)13)15-3-1-7(16)2-4-15/h5-6H,1-4H2
InChIKeyKBHCIXUPLZWAMX-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.79
Rot. Bonds1

About 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one

1-(4-chloro-2,5-difluorophenyl)piperidin-4-one (PubChem CID 118904185) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)piperidin-4-one
PubChem CID118904185
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name1-(4-chloro-2,5-difluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(F)c(Cl)cc2F)CC1
InChIInChI=1S/C11H10ClF2NO/c12-8-5-10(14)11(6-9(8)13)15-3-1-7(16)2-4-15/h5-6H,1-4H2
InChIKeyKBHCIXUPLZWAMX-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one (CID 118904185) is 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one is O=C1CCN(c2cc(F)c(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one?
The InChIKey is KBHCIXUPLZWAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-8-5-10(14)11(6-9(8)13)15-3-1-7(16)2-4-15/h5-6H,1-4H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one?
1-(4-chloro-2,5-difluorophenyl)piperidin-4-one has a molecular weight of 245.66 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)piperidin-4-one is sourced from PubChem (CID 118904185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).