bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate

C6H7F8O4P — CID 12516190

IUPACbis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate
SMILESO=P(O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H7F8O4P/c7-3(8)5(11,12)1-17-19(15,16)18-2-6(13,14)4(9)10/h3-4H,1-2H2,(H,15,16)
InChIKeyWOGKKRTZDXJOPJ-UHFFFAOYSA-N
MW326.08 g/mol
LogP2.92
Rot. Bonds8

About bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate

bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate (PubChem CID 12516190) has the molecular formula C6H7F8O4P and a molecular weight of 326.08 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate
PubChem CID12516190
Molecular FormulaC6H7F8O4P
Molecular Weight326.08 g/mol
Exact Mass326.00
IUPAC Namebis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate
SMILESO=P(O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H7F8O4P/c7-3(8)5(11,12)1-17-19(15,16)18-2-6(13,14)4(9)10/h3-4H,1-2H2,(H,15,16)
InChIKeyWOGKKRTZDXJOPJ-UHFFFAOYSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate?
The IUPAC name of bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate (CID 12516190) is bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate is O=P(O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate?
The InChIKey is WOGKKRTZDXJOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F8O4P/c7-3(8)5(11,12)1-17-19(15,16)18-2-6(13,14)4(9)10/h3-4H,1-2H2,(H,15,16).
What are the key properties of bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate?
bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate has a molecular weight of 326.08 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropyl) hydrogen phosphate is sourced from PubChem (CID 12516190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).