2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane

C5H4F6O2 — CID 59745652

IUPAC2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane
SMILESFCOC(OCC(F)(F)F)=C(F)F
InChIInChI=1S/C5H4F6O2/c6-2-13-4(3(7)8)12-1-5(9,10)11/h1-2H2
InChIKeyJUEMCBHIOZBXHA-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.57
Rot. Bonds4

About 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane

2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane (PubChem CID 59745652) has the molecular formula C5H4F6O2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane
PubChem CID59745652
Molecular FormulaC5H4F6O2
Molecular Weight210.07 g/mol
Exact Mass210.01
IUPAC Name2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane
SMILESFCOC(OCC(F)(F)F)=C(F)F
InChIInChI=1S/C5H4F6O2/c6-2-13-4(3(7)8)12-1-5(9,10)11/h1-2H2
InChIKeyJUEMCBHIOZBXHA-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
(E)-1-[difluoro-[(E)-2-fluoroethenoxy]methoxy]-2-fluoroethene
CID 19708223
[2,2-Difluoro-1-(2-fluoroethoxy)ethenyl] hypofluorite
CID 20733513
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)-1,2,2,2-tetrafluoroethane
CID 57591523
1,1,4,4,7,7-Hexafluoro-3,5-dioxa-1,6-heptadiene
CID 57591542
1-[Difluoro(fluoromethoxy)methoxy]-2-fluoroethane
CID 57934668
2-[Difluoro(trifluoromethoxy)methoxy]-1,1,1-trifluoroethane
CID 57983763
3,3,5-trifluoro-6-(trifluoromethoxy)-2H-1,4-dioxine
CID 57997040

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane (CID 59745652) is 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane is FCOC(OCC(F)(F)F)=C(F)F.
What is the InChIKey of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane?
The InChIKey is JUEMCBHIOZBXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2/c6-2-13-4(3(7)8)12-1-5(9,10)11/h1-2H2.
What are the key properties of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane?
2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane has a molecular weight of 210.07 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 59745652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).