pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane

C30F25O5P — CID 12954707

IUPACpentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
SMILESFc1c(F)c(F)c(OP(Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C30F25O5P/c31-1-6(36)16(46)26(17(47)7(1)37)56-61(57-27-18(48)8(38)2(32)9(39)19(27)49,58-28-20(50)10(40)3(33)11(41)21(28)51,59-29-22(52)12(42)4(34)13(43)23(29)53)60-30-24(54)14(44)5(35)15(45)25(30)55
InChIKeySJZAIXYVICJKDL-UHFFFAOYSA-N
MW946.25 g/mol
LogP11.99
Rot. Bonds10

About pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane

pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane (PubChem CID 12954707) has the molecular formula C30F25O5P and a molecular weight of 946.25 g/mol. Its IUPAC name is pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane.

Molecular Properties

Compound Namepentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
PubChem CID12954707
Molecular FormulaC30F25O5P
Molecular Weight946.25 g/mol
Exact Mass945.91
IUPAC Namepentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
SMILESFc1c(F)c(F)c(OP(Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C30F25O5P/c31-1-6(36)16(46)26(17(47)7(1)37)56-61(57-27-18(48)8(38)2(32)9(39)19(27)49,58-28-20(50)10(40)3(33)11(41)21(28)51,59-29-22(52)12(42)4(34)13(43)23(29)53)60-30-24(54)14(44)5(35)15(45)25(30)55
InChIKeySJZAIXYVICJKDL-UHFFFAOYSA-N
XLogP11.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.25
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane?
The IUPAC name of pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane (CID 12954707) is pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane.
What is the SMILES notation for pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane?
The canonical SMILES for pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane 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)(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 pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane?
The InChIKey is SJZAIXYVICJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30F25O5P/c31-1-6(36)16(46)26(17(47)7(1)37)56-61(57-27-18(48)8(38)2(32)9(39)19(27)49,58-28-20(50)10(40)3(33)11(41)21(28)51,59-29-22(52)12(42)4(34)13(43)23(29)53)60-30-24(54)14(44)5(35)15(45)25(30)55.
What are the key properties of pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane?
pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane has a molecular weight of 946.25 g/mol, XLogP of 11.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane is sourced from PubChem (CID 12954707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).