[2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate

C11H10F15O6P — CID 122455373

IUPAC[2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate
SMILESCOP(=O)(OC)OCC(F)(CF)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F15O6P/c1-28-33(27,29-2)30-4-5(13,3-12)31-11(25,26)7(16,9(20,21)22)32-10(23,24)6(14,15)8(17,18)19/h3-4H2,1-2H3
InChIKeyGURVEEWYGPIDIR-UHFFFAOYSA-N
MW554.14 g/mol
LogP5.68
Rot. Bonds12

About [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate

[2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate (PubChem CID 122455373) has the molecular formula C11H10F15O6P and a molecular weight of 554.14 g/mol. Its IUPAC name is [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate.

Molecular Properties

Compound Name[2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate
PubChem CID122455373
Molecular FormulaC11H10F15O6P
Molecular Weight554.14 g/mol
Exact Mass554.00
IUPAC Name[2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate
SMILESCOP(=O)(OC)OCC(F)(CF)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F15O6P/c1-28-33(27,29-2)30-4-5(13,3-12)31-11(25,26)7(16,9(20,21)22)32-10(23,24)6(14,15)8(17,18)19/h3-4H2,1-2H3
InChIKeyGURVEEWYGPIDIR-UHFFFAOYSA-N
XLogP5.68
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.14
LogP ≤ 55.68
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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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl dipropyl phosphate
CID 383646
[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
CID 657052
methyl [(2R)-1-propoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] hydrogen phosphate
CID 42627105
2-(2-Diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
CID 10553433
Tris(1,1,1-trifluoropropan-2-yl) phosphate
CID 13681432
Tris[2-(2,2,2-trifluoroethoxy)ethyl] phosphate
CID 45926592
1,1,1,3,3,3-Hexafluoropropan-2-yl propan-2-yl 1,1,1-trifluoropropan-2-yl phosphate
CID 58040756
2,3,3,3-Tetrafluoro-2-(perfluoropropoxy)-1-propanol 1-phosphate
CID 101890047
2-[2-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium
CID 117645975
Methyl-oxo-[2-[2,2,3,3-tetrafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]phosphanium
CID 117645981
2-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethoxy-methyl-oxophosphanium
CID 117645983
Methyl-oxo-[3-[2,2,3,3-tetrafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]propoxy]phosphanium
CID 117645987

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate?
The IUPAC name of [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate (CID 122455373) is [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate.
What is the SMILES notation for [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate?
The canonical SMILES for [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate is COP(=O)(OC)OCC(F)(CF)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate?
The InChIKey is GURVEEWYGPIDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F15O6P/c1-28-33(27,29-2)30-4-5(13,3-12)31-11(25,26)7(16,9(20,21)22)32-10(23,24)6(14,15)8(17,18)19/h3-4H2,1-2H3.
What are the key properties of [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate?
[2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate has a molecular weight of 554.14 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate is sourced from PubChem (CID 122455373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).