6-bis(4-fluorophenyl)phosphanylpiperidin-2-one

C17H16F2NOP — CID 76530787

IUPAC6-bis(4-fluorophenyl)phosphanylpiperidin-2-one
SMILESO=C1CCCC(P(c2ccc(F)cc2)c2ccc(F)cc2)N1
InChIInChI=1S/C17H16F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h4-11,17H,1-3H2,(H,20,21)
InChIKeyGAYZXWZVDYSXKM-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.02
Rot. Bonds3

About 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one

6-bis(4-fluorophenyl)phosphanylpiperidin-2-one (PubChem CID 76530787) has the molecular formula C17H16F2NOP and a molecular weight of 319.29 g/mol. Its IUPAC name is 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one.

Molecular Properties

Compound Name6-bis(4-fluorophenyl)phosphanylpiperidin-2-one
PubChem CID76530787
Molecular FormulaC17H16F2NOP
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name6-bis(4-fluorophenyl)phosphanylpiperidin-2-one
SMILESO=C1CCCC(P(c2ccc(F)cc2)c2ccc(F)cc2)N1
InChIInChI=1S/C17H16F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h4-11,17H,1-3H2,(H,20,21)
InChIKeyGAYZXWZVDYSXKM-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.02
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

N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
[2-Oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium;bromide
CID 22403607
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium bromide
CID 88410802
3-[Bromo(triphenyl)-lambda5-phosphanyl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 139787048
(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
CID 15528775
N-butyl-4,4,5,5,5-pentafluoro-3-oxo-2-(triphenyl-lambda5-phosphanylidene)pentanamide
CID 2752546
[2-Oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium
CID 22403608
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium
CID 88410803
triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium
CID 102518800
3-(Triphenyl-lambda5-phosphanylidene)piperidin-2-one
CID 19906137
N-(2-diphenylphosphanylethyl)propanamide
CID 57195628
[5-(Ethylamino)-5-oxopentyl]-triphenylphosphanium
CID 58362006

Frequently Asked Questions

What is the IUPAC name of 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one?
The IUPAC name of 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one (CID 76530787) is 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one.
What is the SMILES notation for 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one?
The canonical SMILES for 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one is O=C1CCCC(P(c2ccc(F)cc2)c2ccc(F)cc2)N1.
What is the InChIKey of 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one?
The InChIKey is GAYZXWZVDYSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h4-11,17H,1-3H2,(H,20,21).
What are the key properties of 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one?
6-bis(4-fluorophenyl)phosphanylpiperidin-2-one has a molecular weight of 319.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bis(4-fluorophenyl)phosphanylpiperidin-2-one is sourced from PubChem (CID 76530787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).