1-ethenoxy-1-fluoroethane

C4H7FO — CID 22337931

IUPAC1-ethenoxy-1-fluoroethane
SMILESC=COC(C)F
InChIInChI=1S/C4H7FO/c1-3-6-4(2)5/h3-4H,1H2,2H3
InChIKeyHMCTUNDEXZQZOT-UHFFFAOYSA-N
MW90.10 g/mol
LogP1.46
Rot. Bonds2

About 1-ethenoxy-1-fluoroethane

1-ethenoxy-1-fluoroethane (PubChem CID 22337931) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 1-ethenoxy-1-fluoroethane.

Molecular Properties

Compound Name1-ethenoxy-1-fluoroethane
PubChem CID22337931
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name1-ethenoxy-1-fluoroethane
SMILESC=COC(C)F
InChIInChI=1S/C4H7FO/c1-3-6-4(2)5/h3-4H,1H2,2H3
InChIKeyHMCTUNDEXZQZOT-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 51.46
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-fluoroethane?
The IUPAC name of 1-ethenoxy-1-fluoroethane (CID 22337931) is 1-ethenoxy-1-fluoroethane.
What is the SMILES notation for 1-ethenoxy-1-fluoroethane?
The canonical SMILES for 1-ethenoxy-1-fluoroethane is C=COC(C)F.
What is the InChIKey of 1-ethenoxy-1-fluoroethane?
The InChIKey is HMCTUNDEXZQZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-3-6-4(2)5/h3-4H,1H2,2H3.
What are the key properties of 1-ethenoxy-1-fluoroethane?
1-ethenoxy-1-fluoroethane has a molecular weight of 90.10 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-fluoroethane is sourced from PubChem (CID 22337931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).