methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate

C7H7F10O4P — CID 15531204

IUPACmethyl bis(2,2,3,3,3-pentafluoropropyl) phosphate
SMILESCOP(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F10O4P/c1-19-22(18,20-2-4(8,9)6(12,13)14)21-3-5(10,11)7(15,16)17/h2-3H2,1H3
InChIKeyHCKVDDRDMHGKCL-UHFFFAOYSA-N
MW376.08 g/mol
LogP4.17
Rot. Bonds7

About methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate

methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate (PubChem CID 15531204) has the molecular formula C7H7F10O4P and a molecular weight of 376.08 g/mol. Its IUPAC name is methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate.

Molecular Properties

Compound Namemethyl bis(2,2,3,3,3-pentafluoropropyl) phosphate
PubChem CID15531204
Molecular FormulaC7H7F10O4P
Molecular Weight376.08 g/mol
Exact Mass375.99
IUPAC Namemethyl bis(2,2,3,3,3-pentafluoropropyl) phosphate
SMILESCOP(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F10O4P/c1-19-22(18,20-2-4(8,9)6(12,13)14)21-3-5(10,11)7(15,16)17/h2-3H2,1H3
InChIKeyHCKVDDRDMHGKCL-UHFFFAOYSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.08
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate?
The IUPAC name of methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate (CID 15531204) is methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate.
What is the SMILES notation for methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate?
The canonical SMILES for methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate is COP(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate?
The InChIKey is HCKVDDRDMHGKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F10O4P/c1-19-22(18,20-2-4(8,9)6(12,13)14)21-3-5(10,11)7(15,16)17/h2-3H2,1H3.
What are the key properties of methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate?
methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate has a molecular weight of 376.08 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate is sourced from PubChem (CID 15531204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).