pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane

C15H15F20O5P — CID 12516188

IUPACpentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
SMILESFC(F)C(F)(F)COP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C15H15F20O5P/c16-6(17)11(26,27)1-36-41(37-2-12(28,29)7(18)19,38-3-13(30,31)8(20)21,39-4-14(32,33)9(22)23)40-5-15(34,35)10(24)25/h6-10H,1-5H2
InChIKeyOZEBVXSBKZNZQI-UHFFFAOYSA-N
MW686.21 g/mol
LogP7.70
Rot. Bonds20

About pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane

pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane (PubChem CID 12516188) has the molecular formula C15H15F20O5P and a molecular weight of 686.21 g/mol. Its IUPAC name is pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane.

Molecular Properties

Compound Namepentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
PubChem CID12516188
Molecular FormulaC15H15F20O5P
Molecular Weight686.21 g/mol
Exact Mass686.03
IUPAC Namepentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane
SMILESFC(F)C(F)(F)COP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C15H15F20O5P/c16-6(17)11(26,27)1-36-41(37-2-12(28,29)7(18)19,38-3-13(30,31)8(20)21,39-4-14(32,33)9(22)23)40-5-15(34,35)10(24)25/h6-10H,1-5H2
InChIKeyOZEBVXSBKZNZQI-UHFFFAOYSA-N
XLogP7.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.21
LogP ≤ 57.70
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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Related Compounds

Bis(3,3,3-trifluoropropyl) hydrogen phosphate
CID 171653
Tris(1H,1H-heptafluorobutyl)phosphate
CID 2778036
Phosphite, tris(2,2,3,3-tetrafluoropropyl)-
CID 137513
Triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-lambda~5~-phosphane
CID 12732919
Hexafluoroisopropylidenethoxydimethoxyphosphorane
CID 13115973
Tetrakis(2,2,3,3-tetrafluoropropoxy)methylphosphorane
CID 14893552
Tri-(3,3,3-trifluoropropyl) phosphate
CID 87311648
Pentakis(2,2,2-trifluoroethoxy)phosphorane
CID 51258
1-Propanol, 2,2,3,3-tetrafluoro-, phosphate (3:1)
CID 4106535
Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphite
CID 12516173
Pentakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda5-phosphane
CID 12516189
Methyl bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 12516193

Frequently Asked Questions

What is the IUPAC name of pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
The IUPAC name of pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane (CID 12516188) is pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane.
What is the SMILES notation for pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
The canonical SMILES for pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane is FC(F)C(F)(F)COP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
The InChIKey is OZEBVXSBKZNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F20O5P/c16-6(17)11(26,27)1-36-41(37-2-12(28,29)7(18)19,38-3-13(30,31)8(20)21,39-4-14(32,33)9(22)23)40-5-15(34,35)10(24)25/h6-10H,1-5H2.
What are the key properties of pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane?
pentakis(2,2,3,3-tetrafluoropropoxy)-lambda5-phosphane has a molecular weight of 686.21 g/mol, XLogP of 7.70, 20 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-tetrafluoropropoxy)-lambda5-phosphane is sourced from PubChem (CID 12516188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).