pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane

C25H15F40O5P — CID 12516189

IUPACpentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C25H15F40O5P/c26-6(27)16(46,47)21(56,57)11(36,37)1-66-71(67-2-12(38,39)22(58,59)17(48,49)7(28)29,68-3-13(40,41)23(60,61)18(50,51)8(30)31,69-4-14(42,43)24(62,63)19(52,53)9(32)33)70-5-15(44,45)25(64,65)20(54,55)10(34)35/h6-10H,1-5H2
InChIKeySJEUBKARZUWPAO-UHFFFAOYSA-N
MW1186.28 g/mol
LogP14.05
Rot. Bonds30

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

pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane (PubChem CID 12516189) has the molecular formula C25H15F40O5P and a molecular weight of 1186.28 g/mol. Its IUPAC name is pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane.

Molecular Properties

Compound Namepentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane
PubChem CID12516189
Molecular FormulaC25H15F40O5P
Molecular Weight1186.28 g/mol
Exact Mass1186.00
IUPAC Namepentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C25H15F40O5P/c26-6(27)16(46,47)21(56,57)11(36,37)1-66-71(67-2-12(38,39)22(58,59)17(48,49)7(28)29,68-3-13(40,41)23(60,61)18(50,51)8(30)31,69-4-14(42,43)24(62,63)19(52,53)9(32)33)70-5-15(44,45)25(64,65)20(54,55)10(34)35/h6-10H,1-5H2
InChIKeySJEUBKARZUWPAO-UHFFFAOYSA-N
XLogP14.05
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.28
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane?
The IUPAC name of pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane (CID 12516189) is pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane.
What is the SMILES notation for pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane?
The canonical SMILES for pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane is FC(F)C(F)(F)C(F)(F)C(F)(F)COP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane?
The InChIKey is SJEUBKARZUWPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F40O5P/c26-6(27)16(46,47)21(56,57)11(36,37)1-66-71(67-2-12(38,39)22(58,59)17(48,49)7(28)29,68-3-13(40,41)23(60,61)18(50,51)8(30)31,69-4-14(42,43)24(62,63)19(52,53)9(32)33)70-5-15(44,45)25(64,65)20(54,55)10(34)35/h6-10H,1-5H2.
What are the key properties of pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane?
pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane has a molecular weight of 1186.28 g/mol, XLogP of 14.05, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane is sourced from PubChem (CID 12516189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).