(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid

C12H21F6IO18P6 — CID 172997880

IUPAC(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid
SMILESO=P(O)(F)OI(c1ccccc1)c1ccccc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C12H11FIO3P.5FH2O3P/c13-18(15,16)17-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;5*1-5(2,3)4/h1-10H,(H,15,16);5*(H2,2,3,4)
InChIKeyPCGRIBFKNJMXHW-UHFFFAOYSA-N
MW880.02 g/mol
LogP4.48
Rot. Bonds4

About (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid

(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid (PubChem CID 172997880) has the molecular formula C12H21F6IO18P6 and a molecular weight of 880.02 g/mol. Its IUPAC name is (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid.

Molecular Properties

Compound Name(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid
PubChem CID172997880
Molecular FormulaC12H21F6IO18P6
Molecular Weight880.02 g/mol
Exact Mass879.81
IUPAC Name(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid
SMILESO=P(O)(F)OI(c1ccccc1)c1ccccc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C12H11FIO3P.5FH2O3P/c13-18(15,16)17-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;5*1-5(2,3)4/h1-10H,(H,15,16);5*(H2,2,3,4)
InChIKeyPCGRIBFKNJMXHW-UHFFFAOYSA-N
XLogP4.48
TPSA334.18 Ų
H-Bond Donors11
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.02
LogP ≤ 54.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzene;difluorophosphinic acid
CID 175464766
(diphenyl-lambda3-iodanyl) hydrogen sulfate
CID 14204912
bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane
CID 141125031
(diphenyl-λ3-iodanyl) trifluoromethanesulfonate;trifluoromethanesulfonic acid
CID 158041426
[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane
CID 168852043
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
tris[(4-octoxyphenyl)-phenyl-λ3-iodanyl] phosphate
CID 141042068
benzylbenzene;phosphoric acid
CID 161249494
fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid
CID 87221955
sodium;aniline;hydride;phosphoric acid
CID 175182600
hydroxy-methoxy-phenyl-λ3-iodane
CID 89044198
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837

Frequently Asked Questions

What is the IUPAC name of (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid?
The IUPAC name of (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid (CID 172997880) is (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid.
What is the SMILES notation for (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid?
The canonical SMILES for (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid is O=P(O)(F)OI(c1ccccc1)c1ccccc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.
What is the InChIKey of (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid?
The InChIKey is PCGRIBFKNJMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIO3P.5FH2O3P/c13-18(15,16)17-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;5*1-5(2,3)4/h1-10H,(H,15,16);5*(H2,2,3,4).
What are the key properties of (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid?
(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid has a molecular weight of 880.02 g/mol, XLogP of 4.48, 4 rotatable bonds, 11 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid is sourced from PubChem (CID 172997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).