oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium

C12F10O3P+ — CID 11729357

IUPACoxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium
SMILESO=[P+](Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F10O3P/c13-1-3(15)7(19)11(8(20)4(1)16)24-26(23)25-12-9(21)5(17)2(14)6(18)10(12)22/q+1
InChIKeyYKSJBWXIPDAZJX-UHFFFAOYSA-N
MW413.08 g/mol
LogP5.19
Rot. Bonds4

About oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium

oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium (PubChem CID 11729357) has the molecular formula C12F10O3P+ and a molecular weight of 413.08 g/mol. Its IUPAC name is oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium
PubChem CID11729357
Molecular FormulaC12F10O3P+
Molecular Weight413.08 g/mol
Exact Mass412.94
IUPAC Nameoxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium
SMILESO=[P+](Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F10O3P/c13-1-3(15)7(19)11(8(20)4(1)16)24-26(23)25-12-9(21)5(17)2(14)6(18)10(12)22/q+1
InChIKeyYKSJBWXIPDAZJX-UHFFFAOYSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.08
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium?
The IUPAC name of oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium (CID 11729357) is oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium.
What is the SMILES notation for oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium?
The canonical SMILES for oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium is O=[P+](Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium?
The InChIKey is YKSJBWXIPDAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10O3P/c13-1-3(15)7(19)11(8(20)4(1)16)24-26(23)25-12-9(21)5(17)2(14)6(18)10(12)22/q+1.
What are the key properties of oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium?
oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium has a molecular weight of 413.08 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium is sourced from PubChem (CID 11729357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).