tris(2,3,4,5,6-pentafluorophenyl) phosphite

C18F15O3P — CID 13094913

IUPACtris(2,3,4,5,6-pentafluorophenyl) phosphite
SMILESFc1c(F)c(F)c(OP(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F15O3P/c19-1-4(22)10(28)16(11(29)5(1)23)34-37(35-17-12(30)6(24)2(20)7(25)13(17)31)36-18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyOACNPEDSVCMUDS-UHFFFAOYSA-N
MW580.14 g/mol
LogP7.54
Rot. Bonds6

About tris(2,3,4,5,6-pentafluorophenyl) phosphite

tris(2,3,4,5,6-pentafluorophenyl) phosphite (PubChem CID 13094913) has the molecular formula C18F15O3P and a molecular weight of 580.14 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl) phosphite.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl) phosphite
PubChem CID13094913
Molecular FormulaC18F15O3P
Molecular Weight580.14 g/mol
Exact Mass579.93
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl) phosphite
SMILESFc1c(F)c(F)c(OP(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F15O3P/c19-1-4(22)10(28)16(11(29)5(1)23)34-37(35-17-12(30)6(24)2(20)7(25)13(17)31)36-18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyOACNPEDSVCMUDS-UHFFFAOYSA-N
XLogP7.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.14
LogP ≤ 57.54
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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Related Compounds

Hexakis(pentafluorophenoxy)cyclotriphosphazene
CID 298196
Bis(2,3,4,5,6-pentafluorophenyl) phenyl phosphite
CID 21115590
Tris(pentafluorophenyl)phosphate
CID 12489679
Bis(perfluorophenyl) sulfite
CID 13341016
Bis(pentafluorophenyl)phosphoric acid
CID 15006193
Di(penta-fluorophenyl) chlorophosphate
CID 4198951
Tris(pentafluorophenyl)borate
CID 15887311
Al(OC6F5)3
CID 16688057
Bis(2,3,4,5,6-pentafluorophenoxy)-(2,3,4,5,6-pentafluorophenyl)borane
CID 85811035
(2,3,4,5,6-Pentafluorophenoxy)-bis(2,3,4,5,6-pentafluorophenyl)borane
CID 86043659
Phenol, 4-fluoro-, 1,1',1''-phosphite
CID 620022
1-Difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene
CID 87221962

Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl) phosphite?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl) phosphite (CID 13094913) is tris(2,3,4,5,6-pentafluorophenyl) phosphite.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl) phosphite?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl) phosphite is Fc1c(F)c(F)c(OP(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl) phosphite?
The InChIKey is OACNPEDSVCMUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F15O3P/c19-1-4(22)10(28)16(11(29)5(1)23)34-37(35-17-12(30)6(24)2(20)7(25)13(17)31)36-18-14(32)8(26)3(21)9(27)15(18)33.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl) phosphite?
tris(2,3,4,5,6-pentafluorophenyl) phosphite has a molecular weight of 580.14 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl) phosphite is sourced from PubChem (CID 13094913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).