3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene

C7H5F9O2 — CID 167596085

IUPAC3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(C)(F)F
InChIInChI=1S/C7H5F9O2/c1-3(8)5(11,12)18-7(15,16)6(13,14)17-4(2,9)10/h1H2,2H3
InChIKeySOGYTPOLIPWPFJ-UHFFFAOYSA-N
MW292.10 g/mol
LogP3.89
Rot. Bonds6

About 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene

3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene (PubChem CID 167596085) has the molecular formula C7H5F9O2 and a molecular weight of 292.10 g/mol. Its IUPAC name is 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene
PubChem CID167596085
Molecular FormulaC7H5F9O2
Molecular Weight292.10 g/mol
Exact Mass292.01
IUPAC Name3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(C)(F)F
InChIInChI=1S/C7H5F9O2/c1-3(8)5(11,12)18-7(15,16)6(13,14)17-4(2,9)10/h1H2,2H3
InChIKeySOGYTPOLIPWPFJ-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 58029212
3-[difluoro(trifluoromethoxy)methoxy]-2,3,3-trifluoroprop-1-ene
CID 175944751
6-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-6,7,7,7-tetrafluoroheptane-2,4-dione
CID 58864074
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
CID 58602209
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
CID 131973030
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
CID 23235156
3-fluoro-2-methylbut-3-en-2-ol
CID 119096236
[3,4,4,4-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]-2-methylbutan-2-yl] but-3-enoate
CID 121401313
1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802178
2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol
CID 88886789
2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile
CID 175706734
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene?
The IUPAC name of 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene (CID 167596085) is 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene?
The canonical SMILES for 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene is C=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(C)(F)F.
What is the InChIKey of 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene?
The InChIKey is SOGYTPOLIPWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O2/c1-3(8)5(11,12)18-7(15,16)6(13,14)17-4(2,9)10/h1H2,2H3.
What are the key properties of 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene?
3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene has a molecular weight of 292.10 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 167596085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).