dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite

C9H14F8O6P2 — CID 13115960

IUPACdimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite
SMILESCOP(=O)(COP(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F)OC
InChIInChI=1S/C9H14F8O6P2/c1-19-25(18,20-2)5-23-24(21-3-8(14,15)6(10)11)22-4-9(16,17)7(12)13/h6-7H,3-5H2,1-2H3
InChIKeyMDZWXISSNPYVPP-UHFFFAOYSA-N
MW432.14 g/mol
LogP4.51
Rot. Bonds13

About dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite

dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite (PubChem CID 13115960) has the molecular formula C9H14F8O6P2 and a molecular weight of 432.14 g/mol. Its IUPAC name is dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite.

Molecular Properties

Compound Namedimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite
PubChem CID13115960
Molecular FormulaC9H14F8O6P2
Molecular Weight432.14 g/mol
Exact Mass432.01
IUPAC Namedimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite
SMILESCOP(=O)(COP(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F)OC
InChIInChI=1S/C9H14F8O6P2/c1-19-25(18,20-2)5-23-24(21-3-8(14,15)6(10)11)22-4-9(16,17)7(12)13/h6-7H,3-5H2,1-2H3
InChIKeyMDZWXISSNPYVPP-UHFFFAOYSA-N
XLogP4.51
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite?
The IUPAC name of dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite (CID 13115960) is dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite.
What is the SMILES notation for dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite?
The canonical SMILES for dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite is COP(=O)(COP(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F)OC.
What is the InChIKey of dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite?
The InChIKey is MDZWXISSNPYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F8O6P2/c1-19-25(18,20-2)5-23-24(21-3-8(14,15)6(10)11)22-4-9(16,17)7(12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite?
dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite has a molecular weight of 432.14 g/mol, XLogP of 4.51, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite is sourced from PubChem (CID 13115960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).