bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate

C7H7F10O4P — CID 153437771

IUPACbis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate
SMILESO=P(OCC(F)F)(OCC(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F10O4P/c8-3(9)1-19-22(18,20-2-4(10)11)21-5(6(12,13)14)7(15,16)17/h3-5H,1-2H2
InChIKeyUFFGFQOPWSOFDN-UHFFFAOYSA-N
MW376.08 g/mol
LogP4.17
Rot. Bonds8

About bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate

bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate (PubChem CID 153437771) has the molecular formula C7H7F10O4P and a molecular weight of 376.08 g/mol. Its IUPAC name is bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate.

Molecular Properties

Compound Namebis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate
PubChem CID153437771
Molecular FormulaC7H7F10O4P
Molecular Weight376.08 g/mol
Exact Mass375.99
IUPAC Namebis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate
SMILESO=P(OCC(F)F)(OCC(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F10O4P/c8-3(9)1-19-22(18,20-2-4(10)11)21-5(6(12,13)14)7(15,16)17/h3-5H,1-2H2
InChIKeyUFFGFQOPWSOFDN-UHFFFAOYSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate?
The IUPAC name of bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate (CID 153437771) is bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate.
What is the SMILES notation for bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate?
The canonical SMILES for bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate is O=P(OCC(F)F)(OCC(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate?
The InChIKey is UFFGFQOPWSOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F10O4P/c8-3(9)1-19-22(18,20-2-4(10)11)21-5(6(12,13)14)7(15,16)17/h3-5H,1-2H2.
What are the key properties of bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate?
bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate has a molecular weight of 376.08 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoroethyl) 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate is sourced from PubChem (CID 153437771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).