1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane

C6H4F8O2 — CID 88590032

IUPAC1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane
SMILESCOC(F)(O/C(F)=C/F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F8O2/c1-15-6(14,16-3(8)2-7)4(9,10)5(11,12)13/h2H,1H3/b3-2+
InChIKeyKRYKUCJJUUNDKY-NSCUHMNNSA-N
MW260.08 g/mol
LogP3.21
Rot. Bonds4

About 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane

1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane (PubChem CID 88590032) has the molecular formula C6H4F8O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane
PubChem CID88590032
Molecular FormulaC6H4F8O2
Molecular Weight260.08 g/mol
Exact Mass260.01
IUPAC Name1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane
SMILESCOC(F)(O/C(F)=C/F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F8O2/c1-15-6(14,16-3(8)2-7)4(9,10)5(11,12)13/h2H,1H3/b3-2+
InChIKeyKRYKUCJJUUNDKY-NSCUHMNNSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3-Heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenoxy]ethenoxy]propane
CID 17854545
(E)-1-[difluoro-[(E)-2-fluoroethenoxy]methoxy]-2-fluoroethene
CID 19708223
2-[Bis(2,2-difluoroethenoxy)methoxy]-1,1-difluoroethene
CID 23568268
1-{Difluoro[(2-fluoroethenyl)oxy]methoxy}-2-fluoroethene
CID 53867191
1,1-Bis(2,2-difluoroethenoxy)-1,2,2,3,3,3-hexafluoropropane
CID 57591528
2,2-Bis(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoropropane
CID 57591547
2-Methyl-4-(trifluoromethoxy)-2-(trifluoromethyl)-1,3-dioxole
CID 58122665
2-(2,2-Difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane
CID 58947064
4-Fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
CID 59465020
1-Ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane
CID 87136881
1-(Trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene
CID 87169345
1-Ethenoxy-1,2,2,3,3,3-hexafluoro-1-methoxypropane
CID 87288191

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
The IUPAC name of 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane (CID 88590032) is 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane.
What is the SMILES notation for 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
The canonical SMILES for 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane is COC(F)(O/C(F)=C/F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
The InChIKey is KRYKUCJJUUNDKY-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H4F8O2/c1-15-6(14,16-3(8)2-7)4(9,10)5(11,12)13/h2H,1H3/b3-2+.
What are the key properties of 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane?
1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane has a molecular weight of 260.08 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoroethenoxy]-1,2,2,3,3,3-hexafluoro-1-methoxypropane is sourced from PubChem (CID 88590032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).