1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane

C4H2F6O — CID 134893884

IUPAC1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane
SMILESF/C=C(/F)OC(F)(F)C(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6)11-4(9,10)3(7)8/h1,3H/b2-1-
InChIKeyKBPKVAAPMWHCKH-UPHRSURJSA-N
MW180.05 g/mol
LogP2.60
Rot. Bonds3

About 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane

1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane (PubChem CID 134893884) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane
PubChem CID134893884
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane
SMILESF/C=C(/F)OC(F)(F)C(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6)11-4(9,10)3(7)8/h1,3H/b2-1-
InChIKeyKBPKVAAPMWHCKH-UPHRSURJSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane (CID 134893884) is 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane is F/C=C(/F)OC(F)(F)C(F)F.
What is the InChIKey of 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane?
The InChIKey is KBPKVAAPMWHCKH-UPHRSURJSA-N. The full InChI is InChI=1S/C4H2F6O/c5-1-2(6)11-4(9,10)3(7)8/h1,3H/b2-1-.
What are the key properties of 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane?
1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane has a molecular weight of 180.05 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoroethenoxy]-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 134893884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).