cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium

C20H24F2P+ — CID 132552925

IUPACcyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium
SMILESFC(F)C[P+](c1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24F2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2/q+1
InChIKeyQSFLIHQCARSXHC-UHFFFAOYSA-N
MW333.38 g/mol
LogP5.25
Rot. Bonds5

About cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium

cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium (PubChem CID 132552925) has the molecular formula C20H24F2P+ and a molecular weight of 333.38 g/mol. Its IUPAC name is cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium.

Molecular Properties

Compound Namecyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium
PubChem CID132552925
Molecular FormulaC20H24F2P+
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Namecyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium
SMILESFC(F)C[P+](c1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24F2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2/q+1
InChIKeyQSFLIHQCARSXHC-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium
CID 57342175
cyclodecyl(triphenyl)phosphanium
CID 156526903
cyclohexyl(triphenyl)phosphanium chloride
CID 18407754
cyclohexyl-methyl-diphenylphosphanium
CID 23418239
cyclopentyl-methyl-diphenylphosphanium
CID 23413005
cyclopentyl(triphenyl)phosphanium;phosphane;iodide
CID 174786242
CID 166445594
CID 166445594
4-cyclohexylpentan-2-yl(triphenyl)phosphanium
CID 89269199
cyclobutylmethyl(triphenyl)phosphanium bromide
CID 86583711
[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
CID 18666467
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
cyclopropylmethyl(triphenyl)phosphanium;hydrobromide
CID 123134069

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium?
The IUPAC name of cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium (CID 132552925) is cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium.
What is the SMILES notation for cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium?
The canonical SMILES for cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium is FC(F)C[P+](c1ccccc1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium?
The InChIKey is QSFLIHQCARSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2/q+1.
What are the key properties of cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium?
cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium has a molecular weight of 333.38 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,2-difluoroethyl)-diphenylphosphanium is sourced from PubChem (CID 132552925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).