1-ethenoxy-2-fluoroethane

C4H7FO — CID 57047641

IUPAC1-ethenoxy-2-fluoroethane
SMILESC=COCCF
InChIInChI=1S/C4H7FO/c1-2-6-4-3-5/h2H,1,3-4H2
InChIKeyFPFVPEGEWVRCGK-UHFFFAOYSA-N
MW90.10 g/mol
LogP1.12
Rot. Bonds3

About 1-ethenoxy-2-fluoroethane

1-ethenoxy-2-fluoroethane (PubChem CID 57047641) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 1-ethenoxy-2-fluoroethane.

Molecular Properties

Compound Name1-ethenoxy-2-fluoroethane
PubChem CID57047641
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name1-ethenoxy-2-fluoroethane
SMILESC=COCCF
InChIInChI=1S/C4H7FO/c1-2-6-4-3-5/h2H,1,3-4H2
InChIKeyFPFVPEGEWVRCGK-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-fluoroethane?
The IUPAC name of 1-ethenoxy-2-fluoroethane (CID 57047641) is 1-ethenoxy-2-fluoroethane.
What is the SMILES notation for 1-ethenoxy-2-fluoroethane?
The canonical SMILES for 1-ethenoxy-2-fluoroethane is C=COCCF.
What is the InChIKey of 1-ethenoxy-2-fluoroethane?
The InChIKey is FPFVPEGEWVRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-2-6-4-3-5/h2H,1,3-4H2.
What are the key properties of 1-ethenoxy-2-fluoroethane?
1-ethenoxy-2-fluoroethane has a molecular weight of 90.10 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-fluoroethane is sourced from PubChem (CID 57047641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).