bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate

C12HF10O4P — CID 15006193

IUPACbis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate
SMILESO=P(O)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12HF10O4P/c13-1-3(15)7(19)11(8(20)4(1)16)25-27(23,24)26-12-9(21)5(17)2(14)6(18)10(12)22/h(H,23,24)
InChIKeyPGRZJYLTMMAZID-UHFFFAOYSA-N
MW430.09 g/mol
LogP4.64
Rot. Bonds4

About bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate

bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate (PubChem CID 15006193) has the molecular formula C12HF10O4P and a molecular weight of 430.09 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate
PubChem CID15006193
Molecular FormulaC12HF10O4P
Molecular Weight430.09 g/mol
Exact Mass429.95
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate
SMILESO=P(O)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12HF10O4P/c13-1-3(15)7(19)11(8(20)4(1)16)25-27(23,24)26-12-9(21)5(17)2(14)6(18)10(12)22/h(H,23,24)
InChIKeyPGRZJYLTMMAZID-UHFFFAOYSA-N
XLogP4.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.09
LogP ≤ 54.64
H-Bond Donors ≤ 51
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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Related Compounds

Tris(pentafluorophenyl)phosphate
CID 12489679
Bis(perfluorophenyl) sulfite
CID 13341016
Di(penta-fluorophenyl) chlorophosphate
CID 4198951
Pentafluorophenyl dichlorophosphate
CID 12489680
Tris(2,3,4,5,6-pentafluorophenyl) phosphite
CID 13094913
1-Difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene
CID 87221962
Pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
CID 12954707
Bis(4-fluorophenyl) hydrogen phosphate
CID 1614643
Oxo-bis(2,3,4,5,6-pentafluorophenoxy)phosphanium
CID 11729357
Hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium
CID 15006194
Diethyl (2,3,4,5,6-pentafluorophenyl) phosphate
CID 15396735
Bis(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 18431894

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate (CID 15006193) is bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate is O=P(O)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate?
The InChIKey is PGRZJYLTMMAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF10O4P/c13-1-3(15)7(19)11(8(20)4(1)16)25-27(23,24)26-12-9(21)5(17)2(14)6(18)10(12)22/h(H,23,24).
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate?
bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate has a molecular weight of 430.09 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl) hydrogen phosphate is sourced from PubChem (CID 15006193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).