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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Related Compounds

4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
3-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-one
CID 102622038
4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde
CID 54461508
3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one
CID 126782155
(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
CID 14913239
(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
CID 3065195
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]cyclopropane-1-carboxamide
CID 124731814
4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione
CID 115926972
(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine
CID 70837799
(2S,3S)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine
CID 70837867
3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 103052236
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
CID 124634598

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).