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

C6H6BrF8O4P — CID 130422635

IUPACbromo bis(2,2,3,3-tetrafluoropropyl) phosphate
SMILESO=P(OBr)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6BrF8O4P/c7-19-20(16,17-1-5(12,13)3(8)9)18-2-6(14,15)4(10)11/h3-4H,1-2H2
InChIKeyRCZLHOHVUURNDR-UHFFFAOYSA-N
MW404.97 g/mol
LogP4.26
Rot. Bonds9

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

bromo bis(2,2,3,3-tetrafluoropropyl) phosphate (PubChem CID 130422635) has the molecular formula C6H6BrF8O4P and a molecular weight of 404.97 g/mol. Its IUPAC name is bromo bis(2,2,3,3-tetrafluoropropyl) phosphate.

Molecular Properties

Compound Namebromo bis(2,2,3,3-tetrafluoropropyl) phosphate
PubChem CID130422635
Molecular FormulaC6H6BrF8O4P
Molecular Weight404.97 g/mol
Exact Mass403.91
IUPAC Namebromo bis(2,2,3,3-tetrafluoropropyl) phosphate
SMILESO=P(OBr)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6BrF8O4P/c7-19-20(16,17-1-5(12,13)3(8)9)18-2-6(14,15)4(10)11/h3-4H,1-2H2
InChIKeyRCZLHOHVUURNDR-UHFFFAOYSA-N
XLogP4.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 54.26
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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Related Compounds

2,2,3,3,3-pentafluoropropyl bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 87338363
bis(2,2,3,3-tetrafluoropropyl) 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl phosphate
CID 87338288
octyl 2,2,3,3-tetrafluoropropyl 2,2,2-trifluoroethyl phosphate
CID 87338296
(4-formylpiperazin-1-yl) bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 118073228
oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 3769735
3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane
CID 151869532
ethyl-hydroxy-sulfanylidene-(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 88680594
3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
CID 88949671
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
chloro-bis(2,2,3,3-tetrafluoropropoxy)phosphane
CID 13115958
bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
CID 170100771
2,2,2-trifluoroethyl 2-bromo-2-fluoroacetate
CID 162536281

Frequently Asked Questions

What is the IUPAC name of bromo bis(2,2,3,3-tetrafluoropropyl) phosphate?
The IUPAC name of bromo bis(2,2,3,3-tetrafluoropropyl) phosphate (CID 130422635) is bromo bis(2,2,3,3-tetrafluoropropyl) phosphate.
What is the SMILES notation for bromo bis(2,2,3,3-tetrafluoropropyl) phosphate?
The canonical SMILES for bromo bis(2,2,3,3-tetrafluoropropyl) phosphate is O=P(OBr)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of bromo bis(2,2,3,3-tetrafluoropropyl) phosphate?
The InChIKey is RCZLHOHVUURNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF8O4P/c7-19-20(16,17-1-5(12,13)3(8)9)18-2-6(14,15)4(10)11/h3-4H,1-2H2.
What are the key properties of bromo bis(2,2,3,3-tetrafluoropropyl) phosphate?
bromo bis(2,2,3,3-tetrafluoropropyl) phosphate has a molecular weight of 404.97 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo bis(2,2,3,3-tetrafluoropropyl) phosphate is sourced from PubChem (CID 130422635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).