2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium

C17H14F16P+ — CID 23123622

IUPAC2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILESFCCCC(F)C(F)C(F)C(F)C(F)C[PH+](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H13F16P/c18-3-1-2-5(19)7(21)9(23)8(22)6(20)4-34(17(32,33)16(29,30)31)15-13(27)11(25)10(24)12(26)14(15)28/h5-9H,1-4H2/p+1
InChIKeyYZOJQSLOGAEDLV-UHFFFAOYSA-O
MW553.24 g/mol
LogP6.82
Rot. Bonds11

About 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium

2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium (PubChem CID 23123622) has the molecular formula C17H14F16P+ and a molecular weight of 553.24 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium.

Molecular Properties

Compound Name2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium
PubChem CID23123622
Molecular FormulaC17H14F16P+
Molecular Weight553.24 g/mol
Exact Mass553.06
IUPAC Name2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILESFCCCC(F)C(F)C(F)C(F)C(F)C[PH+](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H13F16P/c18-3-1-2-5(19)7(21)9(23)8(22)6(20)4-34(17(32,33)16(29,30)31)15-13(27)11(25)10(24)12(26)14(15)28/h5-9H,1-4H2/p+1
InChIKeyYZOJQSLOGAEDLV-UHFFFAOYSA-O
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.24
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The IUPAC name of 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium (CID 23123622) is 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium.
What is the SMILES notation for 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The canonical SMILES for 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium is FCCCC(F)C(F)C(F)C(F)C(F)C[PH+](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The InChIKey is YZOJQSLOGAEDLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H13F16P/c18-3-1-2-5(19)7(21)9(23)8(22)6(20)4-34(17(32,33)16(29,30)31)15-13(27)11(25)10(24)12(26)14(15)28/h5-9H,1-4H2/p+1.
What are the key properties of 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium?
2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium has a molecular weight of 553.24 g/mol, XLogP of 6.82, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium is sourced from PubChem (CID 23123622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).