2-ethenoxy-1,1,1-trifluoroethane

C4H5F3O — CID 9844

💊View drug profile → fluroxene
IUPAC2-ethenoxy-1,1,1-trifluoroethane
SMILESC=COCC(F)(F)F
InChIInChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2
InChIKeyDLEGDLSLRSOURQ-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.71
Rot. Bonds2

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

2-ethenoxy-1,1,1-trifluoroethane (PubChem CID 9844) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 2-ethenoxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-ethenoxy-1,1,1-trifluoroethane
PubChem CID9844
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name2-ethenoxy-1,1,1-trifluoroethane
SMILESC=COCC(F)(F)F
InChIInChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2
InChIKeyDLEGDLSLRSOURQ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 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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Related Compounds

1,1,2,2-Tetrafluoro-3-(vinyloxy)propane
CID 122489
1,1,2,2,3,3,3-Heptafluoro-1-(vinyloxy)propane
CID 81479
4-(Ethenyloxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19033536
Ethyl trifluorovinyl ether
CID 2737241
(1,1,2,2-Tetrafluoroethoxy)ethylene
CID 69625
Trifluoromethoxyethene
CID 9855459
(Z)-1-ethoxy-1,2-difluoroethene
CID 13844044
Trifluroethylvinyl ether
CID 19089662
Difluorovinylether
CID 21835878
Fluoromethyl vinyl ether
CID 21863007
Ethenoxyethene;1,1,2,2-tetrafluoroethene
CID 22442759
1-Chloro-1,2,2-trifluoroethene;ethenoxyethene
CID 22463762

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,1,1-trifluoroethane?
The IUPAC name of 2-ethenoxy-1,1,1-trifluoroethane (CID 9844) is 2-ethenoxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-ethenoxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-ethenoxy-1,1,1-trifluoroethane is C=COCC(F)(F)F.
What is the InChIKey of 2-ethenoxy-1,1,1-trifluoroethane?
The InChIKey is DLEGDLSLRSOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2.
What are the key properties of 2-ethenoxy-1,1,1-trifluoroethane?
2-ethenoxy-1,1,1-trifluoroethane has a molecular weight of 126.08 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,1,1-trifluoroethane is sourced from PubChem (CID 9844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).