[1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite

C8H8F10O3 — CID 58731912

IUPAC[1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite
SMILESCOC(C)(C(F)(F)OF)C(F)(F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10O3/c1-4(19-2,8(16,17)21-18)7(14,15)20-3-5(9,10)6(11,12)13/h3H2,1-2H3
InChIKeyXIJIBMBIMZIMOD-UHFFFAOYSA-N
MW342.13 g/mol
LogP3.69
Rot. Bonds7

About [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite

[1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite (PubChem CID 58731912) has the molecular formula C8H8F10O3 and a molecular weight of 342.13 g/mol. Its IUPAC name is [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite.

Molecular Properties

Compound Name[1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite
PubChem CID58731912
Molecular FormulaC8H8F10O3
Molecular Weight342.13 g/mol
Exact Mass342.03
IUPAC Name[1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite
SMILESCOC(C)(C(F)(F)OF)C(F)(F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10O3/c1-4(19-2,8(16,17)21-18)7(14,15)20-3-5(9,10)6(11,12)13/h3H2,1-2H3
InChIKeyXIJIBMBIMZIMOD-UHFFFAOYSA-N
XLogP3.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite?
The IUPAC name of [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite (CID 58731912) is [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite.
What is the SMILES notation for [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite?
The canonical SMILES for [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite is COC(C)(C(F)(F)OF)C(F)(F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite?
The InChIKey is XIJIBMBIMZIMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O3/c1-4(19-2,8(16,17)21-18)7(14,15)20-3-5(9,10)6(11,12)13/h3H2,1-2H3.
What are the key properties of [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite?
[1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite has a molecular weight of 342.13 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,3,3-tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite is sourced from PubChem (CID 58731912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).