2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride

C29H54ClF8P — CID 22731151

IUPAC2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CC(F)(F)C(F)(F)C(F)(F)C(F)F.[Cl-]
InChIInChI=1S/C29H54F8P.ClH/c1-4-7-10-13-16-19-22-38(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)25-27(32,33)29(36,37)28(34,35)26(30)31;/h26H,4-25H2,1-3H3;1H/q+1;/p-1
InChIKeyLSRJROPWJQJYFT-UHFFFAOYSA-M
MW621.16 g/mol
LogP9.26
Rot. Bonds26

About 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride

2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride (PubChem CID 22731151) has the molecular formula C29H54ClF8P and a molecular weight of 621.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride
PubChem CID22731151
Molecular FormulaC29H54ClF8P
Molecular Weight621.16 g/mol
Exact Mass620.35
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CC(F)(F)C(F)(F)C(F)(F)C(F)F.[Cl-]
InChIInChI=1S/C29H54F8P.ClH/c1-4-7-10-13-16-19-22-38(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)25-27(32,33)29(36,37)28(34,35)26(30)31;/h26H,4-25H2,1-3H3;1H/q+1;/p-1
InChIKeyLSRJROPWJQJYFT-UHFFFAOYSA-M
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.16
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
triheptyl(nonyl)phosphanium chloride
CID 87778209
dibutyl(didecyl)phosphanium chloride
CID 87777295
CID 11678181
CID 11678181
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(undecyl)phosphanium
CID 87895668
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
nonyl-tri(pentadecyl)phosphanium
CID 87807671
tri(heptadecyl)-pentadecylphosphanium
CID 87810198

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride (CID 22731151) is 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CC(F)(F)C(F)(F)C(F)(F)C(F)F.[Cl-].
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride?
The InChIKey is LSRJROPWJQJYFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H54F8P.ClH/c1-4-7-10-13-16-19-22-38(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)25-27(32,33)29(36,37)28(34,35)26(30)31;/h26H,4-25H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride?
2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride has a molecular weight of 621.16 g/mol, XLogP of 9.26, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentyl(trioctyl)phosphanium chloride is sourced from PubChem (CID 22731151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).