4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one

C11H12ClFNOP — CID 176969191

IUPAC4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one
SMILESO=C1NCCC(c2ccc(Cl)c(P)c2)C1F
InChIInChI=1S/C11H12ClFNOP/c12-8-2-1-6(5-9(8)16)7-3-4-14-11(15)10(7)13/h1-2,5,7,10H,3-4,16H2,(H,14,15)
InChIKeyJRKPHOPIHYGNPU-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.78
Rot. Bonds1

About 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one

4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one (PubChem CID 176969191) has the molecular formula C11H12ClFNOP and a molecular weight of 259.65 g/mol. Its IUPAC name is 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one.

Molecular Properties

Compound Name4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one
PubChem CID176969191
Molecular FormulaC11H12ClFNOP
Molecular Weight259.65 g/mol
Exact Mass259.03
IUPAC Name4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one
SMILESO=C1NCCC(c2ccc(Cl)c(P)c2)C1F
InChIInChI=1S/C11H12ClFNOP/c12-8-2-1-6(5-9(8)16)7-3-4-14-11(15)10(7)13/h1-2,5,7,10H,3-4,16H2,(H,14,15)
InChIKeyJRKPHOPIHYGNPU-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one?
The IUPAC name of 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one (CID 176969191) is 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one.
What is the SMILES notation for 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one?
The canonical SMILES for 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one is O=C1NCCC(c2ccc(Cl)c(P)c2)C1F.
What is the InChIKey of 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one?
The InChIKey is JRKPHOPIHYGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFNOP/c12-8-2-1-6(5-9(8)16)7-3-4-14-11(15)10(7)13/h1-2,5,7,10H,3-4,16H2,(H,14,15).
What are the key properties of 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one?
4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one has a molecular weight of 259.65 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one is sourced from PubChem (CID 176969191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).