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

C7H5F9O2 — CID 58219823

IUPAC1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC
InChIInChI=1S/C7H5F9O2/c1-3(8)4(9,10)18-5(11,6(12,13)14)7(15,16)17-2/h1H2,2H3
InChIKeyVFPGDJFASAFUDI-UHFFFAOYSA-N
MW292.10 g/mol
LogP3.55
Rot. Bonds5

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

1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 58219823) has the molecular formula C7H5F9O2 and a molecular weight of 292.10 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID58219823
Molecular FormulaC7H5F9O2
Molecular Weight292.10 g/mol
Exact Mass292.01
IUPAC Name1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC
InChIInChI=1S/C7H5F9O2/c1-3(8)4(9,10)18-5(11,6(12,13)14)7(15,16)17-2/h1H2,2H3
InChIKeyVFPGDJFASAFUDI-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 53.55
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-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 58219823) is 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is VFPGDJFASAFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O2/c1-3(8)4(9,10)18-5(11,6(12,13)14)7(15,16)17-2/h1H2,2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 292.10 g/mol, XLogP of 3.55, 5 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-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 58219823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).