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

C4H3F5O — CID 134873738

IUPAC1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane
SMILESF/C=C(/F)OC(F)C(F)F
InChIInChI=1S/C4H3F5O/c5-1-2(6)10-4(9)3(7)8/h1,3-4H/b2-1-
InChIKeyLIAVQCQXTWRKEZ-UPHRSURJSA-N
MW162.06 g/mol
LogP2.30
Rot. Bonds3

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

1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane (PubChem CID 134873738) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane
PubChem CID134873738
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane
SMILESF/C=C(/F)OC(F)C(F)F
InChIInChI=1S/C4H3F5O/c5-1-2(6)10-4(9)3(7)8/h1,3-4H/b2-1-
InChIKeyLIAVQCQXTWRKEZ-UPHRSURJSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane?
The IUPAC name of 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane (CID 134873738) is 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane.
What is the SMILES notation for 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane?
The canonical SMILES for 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane is F/C=C(/F)OC(F)C(F)F.
What is the InChIKey of 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane?
The InChIKey is LIAVQCQXTWRKEZ-UPHRSURJSA-N. The full InChI is InChI=1S/C4H3F5O/c5-1-2(6)10-4(9)3(7)8/h1,3-4H/b2-1-.
What are the key properties of 1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane?
1-[(E)-1,2-difluoroethenoxy]-1,2,2-trifluoroethane has a molecular weight of 162.06 g/mol, XLogP of 2.30, 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]-1,2,2-trifluoroethane is sourced from PubChem (CID 134873738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).