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

C11H9F13O2 — CID 91212367

IUPACbis(1,1-difluoroethene);1,1,1,2,3,3-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.C=C(F)F.C=C(F)F
InChIInChI=1S/C7H5F9O2.2C2H2F2/c1-3(8)4(9,10)18-5(11,6(12,13)14)7(15,16)17-2;2*1-2(3)4/h1H2,2H3;2*1H2
InChIKeyISXSRBPMNATZAB-UHFFFAOYSA-N
MW420.17 g/mol
LogP6.34
Rot. Bonds5

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

bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 91212367) has the molecular formula C11H9F13O2 and a molecular weight of 420.17 g/mol. Its IUPAC name is bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Namebis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID91212367
Molecular FormulaC11H9F13O2
Molecular Weight420.17 g/mol
Exact Mass420.04
IUPAC Namebis(1,1-difluoroethene);1,1,1,2,3,3-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.C=C(F)F.C=C(F)F
InChIInChI=1S/C7H5F9O2.2C2H2F2/c1-3(8)4(9,10)18-5(11,6(12,13)14)7(15,16)17-2;2*1-2(3)4/h1H2,2H3;2*1H2
InChIKeyISXSRBPMNATZAB-UHFFFAOYSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.17
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 91212367) is bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for bis(1,1-difluoroethene);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.C=C(F)F.C=C(F)F.
What is the InChIKey of bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is ISXSRBPMNATZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O2.2C2H2F2/c1-3(8)4(9,10)18-5(11,6(12,13)14)7(15,16)17-2;2*1-2(3)4/h1H2,2H3;2*1H2.
What are the key properties of bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 420.17 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 91212367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).