(5-carboxy-5,5-difluoropentyl)-triphenylphosphanium

C24H24F2O2P+ — CID 21329542

IUPAC(5-carboxy-5,5-difluoropentyl)-triphenylphosphanium
SMILESO=C(O)C(F)(F)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23F2O2P/c25-24(26,23(27)28)18-10-11-19-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1
InChIKeyXXGCZEVCGKXERI-UHFFFAOYSA-O
MW413.42 g/mol
LogP4.87
Rot. Bonds9

About (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium

(5-carboxy-5,5-difluoropentyl)-triphenylphosphanium (PubChem CID 21329542) has the molecular formula C24H24F2O2P+ and a molecular weight of 413.42 g/mol. Its IUPAC name is (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium.

Molecular Properties

Compound Name(5-carboxy-5,5-difluoropentyl)-triphenylphosphanium
PubChem CID21329542
Molecular FormulaC24H24F2O2P+
Molecular Weight413.42 g/mol
Exact Mass413.15
IUPAC Name(5-carboxy-5,5-difluoropentyl)-triphenylphosphanium
SMILESO=C(O)C(F)(F)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23F2O2P/c25-24(26,23(27)28)18-10-11-19-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1
InChIKeyXXGCZEVCGKXERI-UHFFFAOYSA-O
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6-carboxy-6,6-difluorohexyl)-triphenylphosphanium
CID 21401780
(4-carboxy-3,3-difluorobutyl)-triphenylphosphanium;(4-carboxy-4,4-difluorobutyl)-triphenylphosphanium;dibromide
CID 21432341
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
(4-carboxy-3,3,4-trimethylpentyl)-triphenylphosphanium
CID 59411838
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
3-bromopropyl-(4-carboxyphenyl)-diphenylphosphanium
CID 155644399
3-benzoyloxypropyl(triphenyl)phosphanium;hydrobromide
CID 126958911
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185

Frequently Asked Questions

What is the IUPAC name of (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium?
The IUPAC name of (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium (CID 21329542) is (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium.
What is the SMILES notation for (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium?
The canonical SMILES for (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium is O=C(O)C(F)(F)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium?
The InChIKey is XXGCZEVCGKXERI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23F2O2P/c25-24(26,23(27)28)18-10-11-19-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1.
What are the key properties of (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium?
(5-carboxy-5,5-difluoropentyl)-triphenylphosphanium has a molecular weight of 413.42 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carboxy-5,5-difluoropentyl)-triphenylphosphanium is sourced from PubChem (CID 21329542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).