1-ethenoxy-1,2-difluoroethane

C4H6F2O — CID 56626472

IUPAC1-ethenoxy-1,2-difluoroethane
SMILESC=COC(F)CF
InChIInChI=1S/C4H6F2O/c1-2-7-4(6)3-5/h2,4H,1,3H2
InChIKeyNQPLLOTVHJZHGT-UHFFFAOYSA-N
MW108.09 g/mol
LogP1.41
Rot. Bonds3

About 1-ethenoxy-1,2-difluoroethane

1-ethenoxy-1,2-difluoroethane (PubChem CID 56626472) has the molecular formula C4H6F2O and a molecular weight of 108.09 g/mol. Its IUPAC name is 1-ethenoxy-1,2-difluoroethane.

Molecular Properties

Compound Name1-ethenoxy-1,2-difluoroethane
PubChem CID56626472
Molecular FormulaC4H6F2O
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Name1-ethenoxy-1,2-difluoroethane
SMILESC=COC(F)CF
InChIInChI=1S/C4H6F2O/c1-2-7-4(6)3-5/h2,4H,1,3H2
InChIKeyNQPLLOTVHJZHGT-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 51.41
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-difluoroethane?
The IUPAC name of 1-ethenoxy-1,2-difluoroethane (CID 56626472) is 1-ethenoxy-1,2-difluoroethane.
What is the SMILES notation for 1-ethenoxy-1,2-difluoroethane?
The canonical SMILES for 1-ethenoxy-1,2-difluoroethane is C=COC(F)CF.
What is the InChIKey of 1-ethenoxy-1,2-difluoroethane?
The InChIKey is NQPLLOTVHJZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O/c1-2-7-4(6)3-5/h2,4H,1,3H2.
What are the key properties of 1-ethenoxy-1,2-difluoroethane?
1-ethenoxy-1,2-difluoroethane has a molecular weight of 108.09 g/mol, XLogP of 1.41, 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-difluoroethane is sourced from PubChem (CID 56626472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).