1-(4-chloro-2,3-difluorophenyl)piperidin-4-one

C11H10ClF2NO — CID 178164351

IUPAC1-(4-chloro-2,3-difluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)c(F)c2F)CC1
InChIInChI=1S/C11H10ClF2NO/c12-8-1-2-9(11(14)10(8)13)15-5-3-7(16)4-6-15/h1-2H,3-6H2
InChIKeyCZCALZHULMMLHB-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.79
Rot. Bonds1

About 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one

1-(4-chloro-2,3-difluorophenyl)piperidin-4-one (PubChem CID 178164351) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2,3-difluorophenyl)piperidin-4-one
PubChem CID178164351
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name1-(4-chloro-2,3-difluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)c(F)c2F)CC1
InChIInChI=1S/C11H10ClF2NO/c12-8-1-2-9(11(14)10(8)13)15-5-3-7(16)4-6-15/h1-2H,3-6H2
InChIKeyCZCALZHULMMLHB-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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one?
The IUPAC name of 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one (CID 178164351) is 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one is O=C1CCN(c2ccc(Cl)c(F)c2F)CC1.
What is the InChIKey of 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one?
The InChIKey is CZCALZHULMMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-8-1-2-9(11(14)10(8)13)15-5-3-7(16)4-6-15/h1-2H,3-6H2.
What are the key properties of 1-(4-chloro-2,3-difluorophenyl)piperidin-4-one?
1-(4-chloro-2,3-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-2,3-difluorophenyl)piperidin-4-one is sourced from PubChem (CID 178164351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).