1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

C7H4F10O2 — CID 59335563

IUPAC1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C7H4F10O2/c1-3(9)4(10,11)19-5(12,6(13,14)15)7(16,17)18-2-8/h1-2H2
InChIKeyJOEJVBQMTDZVSD-UHFFFAOYSA-N
MW310.09 g/mol
LogP3.84
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 59335563) has the molecular formula C7H4F10O2 and a molecular weight of 310.09 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID59335563
Molecular FormulaC7H4F10O2
Molecular Weight310.09 g/mol
Exact Mass310.01
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C7H4F10O2/c1-3(9)4(10,11)19-5(12,6(13,14)15)7(16,17)18-2-8/h1-2H2
InChIKeyJOEJVBQMTDZVSD-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 59335563) is 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is JOEJVBQMTDZVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F10O2/c1-3(9)4(10,11)19-5(12,6(13,14)15)7(16,17)18-2-8/h1-2H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 310.09 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 59335563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).