1-ethoxy-1,2,2-trifluoroethene

C4H5F3O — CID 2737241

IUPAC1-ethoxy-1,2,2-trifluoroethene
SMILESCCOC(F)=C(F)F
InChIInChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKeyOTKFYPFFYGHATK-UHFFFAOYSA-N
MW126.08 g/mol
LogP2.06
Rot. Bonds2

About 1-ethoxy-1,2,2-trifluoroethene

1-ethoxy-1,2,2-trifluoroethene (PubChem CID 2737241) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 1-ethoxy-1,2,2-trifluoroethene.

Molecular Properties

Compound Name1-ethoxy-1,2,2-trifluoroethene
PubChem CID2737241
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name1-ethoxy-1,2,2-trifluoroethene
SMILESCCOC(F)=C(F)F
InChIInChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKeyOTKFYPFFYGHATK-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 52.06
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-ethoxy-1,2,2-trifluoroethene?
The IUPAC name of 1-ethoxy-1,2,2-trifluoroethene (CID 2737241) is 1-ethoxy-1,2,2-trifluoroethene.
What is the SMILES notation for 1-ethoxy-1,2,2-trifluoroethene?
The canonical SMILES for 1-ethoxy-1,2,2-trifluoroethene is CCOC(F)=C(F)F.
What is the InChIKey of 1-ethoxy-1,2,2-trifluoroethene?
The InChIKey is OTKFYPFFYGHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2H2,1H3.
What are the key properties of 1-ethoxy-1,2,2-trifluoroethene?
1-ethoxy-1,2,2-trifluoroethene has a molecular weight of 126.08 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2,2-trifluoroethene is sourced from PubChem (CID 2737241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).