dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium

C76H105F18N3P4+4 — CID 161308710

IUPACdicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.FC(F)(F)[P+](N1CCCCC1)(N1CCCCC1)N1CCCCC1.FC(F)(F)[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H15F9P.C19H33F3P.C19H27F3P.C16H30F3N3P/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-16(18,19)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H;16-18H,1-15H2;1,4-5,10-11,17-18H,2-3,6-9,12-15H2;1-15H2/q4*+1
InChIKeyVIPHEGAYFIJDLT-UHFFFAOYSA-N
MW1526.56 g/mol
LogP25.17
Rot. Bonds15

About dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium

dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium (PubChem CID 161308710) has the molecular formula C76H105F18N3P4+4 and a molecular weight of 1526.56 g/mol. Its IUPAC name is dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium.

Molecular Properties

Compound Namedicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium
PubChem CID161308710
Molecular FormulaC76H105F18N3P4+4
Molecular Weight1526.56 g/mol
Exact Mass1525.69
IUPAC Namedicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.FC(F)(F)[P+](N1CCCCC1)(N1CCCCC1)N1CCCCC1.FC(F)(F)[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H15F9P.C19H33F3P.C19H27F3P.C16H30F3N3P/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-16(18,19)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H;16-18H,1-15H2;1,4-5,10-11,17-18H,2-3,6-9,12-15H2;1-15H2/q4*+1
InChIKeyVIPHEGAYFIJDLT-UHFFFAOYSA-N
XLogP25.17
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001526.56
LogP ≤ 525.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium?
The IUPAC name of dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium (CID 161308710) is dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium.
What is the SMILES notation for dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium?
The canonical SMILES for dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.FC(F)(F)[P+](N1CCCCC1)(N1CCCCC1)N1CCCCC1.FC(F)(F)[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium?
The InChIKey is VIPHEGAYFIJDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F9P.C19H33F3P.C19H27F3P.C16H30F3N3P/c23-19(24,21(27,28)29)20(25,26)22(30,31)32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-16(18,19)23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H;16-18H,1-15H2;1,4-5,10-11,17-18H,2-3,6-9,12-15H2;1-15H2/q4*+1.
What are the key properties of dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium?
dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium has a molecular weight of 1526.56 g/mol, XLogP of 25.17, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-phenyl-(trifluoromethyl)phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)phosphanium;tricyclohexyl(trifluoromethyl)phosphanium;tri(piperidin-1-yl)-(trifluoromethyl)phosphanium is sourced from PubChem (CID 161308710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).