1-ethoxy-1,1,2-trifluoroethane

C4H7F3O — CID 22464433

IUPAC1-ethoxy-1,1,2-trifluoroethane
SMILESCCOC(F)(F)CF
InChIInChI=1S/C4H7F3O/c1-2-8-4(6,7)3-5/h2-3H2,1H3
InChIKeyKSFNPHRSKZPYSG-UHFFFAOYSA-N
MW128.09 g/mol
LogP1.59
Rot. Bonds3

About 1-ethoxy-1,1,2-trifluoroethane

1-ethoxy-1,1,2-trifluoroethane (PubChem CID 22464433) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is 1-ethoxy-1,1,2-trifluoroethane.

Molecular Properties

Compound Name1-ethoxy-1,1,2-trifluoroethane
PubChem CID22464433
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name1-ethoxy-1,1,2-trifluoroethane
SMILESCCOC(F)(F)CF
InChIInChI=1S/C4H7F3O/c1-2-8-4(6,7)3-5/h2-3H2,1H3
InChIKeyKSFNPHRSKZPYSG-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2-trifluoroethane?
The IUPAC name of 1-ethoxy-1,1,2-trifluoroethane (CID 22464433) is 1-ethoxy-1,1,2-trifluoroethane.
What is the SMILES notation for 1-ethoxy-1,1,2-trifluoroethane?
The canonical SMILES for 1-ethoxy-1,1,2-trifluoroethane is CCOC(F)(F)CF.
What is the InChIKey of 1-ethoxy-1,1,2-trifluoroethane?
The InChIKey is KSFNPHRSKZPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O/c1-2-8-4(6,7)3-5/h2-3H2,1H3.
What are the key properties of 1-ethoxy-1,1,2-trifluoroethane?
1-ethoxy-1,1,2-trifluoroethane has a molecular weight of 128.09 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2-trifluoroethane is sourced from PubChem (CID 22464433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).