1-ethenoxy-1,2,2-trifluoroethane

C4H5F3O — CID 22645809

IUPAC1-ethenoxy-1,2,2-trifluoroethane
SMILESC=COC(F)C(F)F
InChIInChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2-4H,1H2
InChIKeyRGYAMCMWMFJUCN-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.71
Rot. Bonds3

About 1-ethenoxy-1,2,2-trifluoroethane

1-ethenoxy-1,2,2-trifluoroethane (PubChem CID 22645809) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 1-ethenoxy-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1-ethenoxy-1,2,2-trifluoroethane
PubChem CID22645809
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name1-ethenoxy-1,2,2-trifluoroethane
SMILESC=COC(F)C(F)F
InChIInChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2-4H,1H2
InChIKeyRGYAMCMWMFJUCN-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.71
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-ethenoxy-1,2,2-trifluoroethane?
The IUPAC name of 1-ethenoxy-1,2,2-trifluoroethane (CID 22645809) is 1-ethenoxy-1,2,2-trifluoroethane.
What is the SMILES notation for 1-ethenoxy-1,2,2-trifluoroethane?
The canonical SMILES for 1-ethenoxy-1,2,2-trifluoroethane is C=COC(F)C(F)F.
What is the InChIKey of 1-ethenoxy-1,2,2-trifluoroethane?
The InChIKey is RGYAMCMWMFJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2-4H,1H2.
What are the key properties of 1-ethenoxy-1,2,2-trifluoroethane?
1-ethenoxy-1,2,2-trifluoroethane has a molecular weight of 126.08 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,2-trifluoroethane is sourced from PubChem (CID 22645809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).