[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium

C25H24F3NOP+ — CID 22403608

IUPAC[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1CC(F)(F)F
InChIInChI=1S/C25H24F3NOP/c26-25(27,28)19-29-18-10-17-23(24(29)30)31(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19H2/q+1
InChIKeyQEFDIAWGELQXKH-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.53
Rot. Bonds5

About [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium

[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium (PubChem CID 22403608) has the molecular formula C25H24F3NOP+ and a molecular weight of 442.44 g/mol. Its IUPAC name is [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium
PubChem CID22403608
Molecular FormulaC25H24F3NOP+
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1CC(F)(F)F
InChIInChI=1S/C25H24F3NOP/c26-25(27,28)19-29-18-10-17-23(24(29)30)31(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19H2/q+1
InChIKeyQEFDIAWGELQXKH-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Piperidinyl)-2-(triphenylphosphoranylidene)perfluorohexane-1,3-dione
CID 2751575
N,N-diethyl-4,4,4-trifluoro-3-oxo-2-(triphenyl-lambda5-phosphanylidene)butanamide
CID 2752548
Rac-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]-triphenylphosphonium bromide
CID 10505810
[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 10505811
[2-Oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium;bromide
CID 22403607
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 87795389
[(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
3-[Bromo(triphenyl)-lambda5-phosphanyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 145826099
4,4,4-Trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione
CID 10972915
(2-Oxo-2-piperidin-1-ylethyl)-triphenylphosphanium;trifluoromethanesulfonate
CID 11226451
6-Bis(4-fluorophenyl)phosphanylpiperidin-2-one
CID 76530787

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium?
The IUPAC name of [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium (CID 22403608) is [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1CC(F)(F)F.
What is the InChIKey of [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium?
The InChIKey is QEFDIAWGELQXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NOP/c26-25(27,28)19-29-18-10-17-23(24(29)30)31(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19H2/q+1.
What are the key properties of [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium?
[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium has a molecular weight of 442.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 22403608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).