(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium

C24F20OP+ — CID 132529451

IUPAC(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILESFc1c(F)c(F)c(O[P+](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24F20OP/c25-1-5(29)13(37)21(14(38)6(1)30)45-46(22-15(39)7(31)2(26)8(32)16(22)40,23-17(41)9(33)3(27)10(34)18(23)42)24-19(43)11(35)4(28)12(36)20(24)44/q+1
InChIKeyORDKUWXFVPOCIY-UHFFFAOYSA-N
MW715.20 g/mol
LogP7.76
Rot. Bonds5

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

(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium (PubChem CID 132529451) has the molecular formula C24F20OP+ and a molecular weight of 715.20 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium
PubChem CID132529451
Molecular FormulaC24F20OP+
Molecular Weight715.20 g/mol
Exact Mass714.94
IUPAC Name(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILESFc1c(F)c(F)c(O[P+](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24F20OP/c25-1-5(29)13(37)21(14(38)6(1)30)45-46(22-15(39)7(31)2(26)8(32)16(22)40,23-17(41)9(33)3(27)10(34)18(23)42)24-19(43)11(35)4(28)12(36)20(24)44/q+1
InChIKeyORDKUWXFVPOCIY-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.20
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
CID 10076714
1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
CID 147057196
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
CID 12954707
2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol
CID 15397011
CID 136671200
CID 136671200
2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide
CID 155578209
1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
CID 174560482
2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62584714
4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline
CID 140996627

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium?
The IUPAC name of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium (CID 132529451) is (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium?
The canonical SMILES for (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium is Fc1c(F)c(F)c(O[P+](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium?
The InChIKey is ORDKUWXFVPOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F20OP/c25-1-5(29)13(37)21(14(38)6(1)30)45-46(22-15(39)7(31)2(26)8(32)16(22)40,23-17(41)9(33)3(27)10(34)18(23)42)24-19(43)11(35)4(28)12(36)20(24)44/q+1.
What are the key properties of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium?
(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium has a molecular weight of 715.20 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium is sourced from PubChem (CID 132529451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).