1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene

C5H7F3O2 — CID 58637715

IUPAC1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene
SMILESCCOC(OCF)=C(F)F
InChIInChI=1S/C5H7F3O2/c1-2-9-5(4(7)8)10-3-6/h2-3H2,1H3
InChIKeyAYIYDVODRYXGNP-UHFFFAOYSA-N
MW156.10 g/mol
LogP2.03
Rot. Bonds4

About 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene

1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene (PubChem CID 58637715) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene.

Molecular Properties

Compound Name1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene
PubChem CID58637715
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene
SMILESCCOC(OCF)=C(F)F
InChIInChI=1S/C5H7F3O2/c1-2-9-5(4(7)8)10-3-6/h2-3H2,1H3
InChIKeyAYIYDVODRYXGNP-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene?
The IUPAC name of 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene (CID 58637715) is 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene.
What is the SMILES notation for 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene?
The canonical SMILES for 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene is CCOC(OCF)=C(F)F.
What is the InChIKey of 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene?
The InChIKey is AYIYDVODRYXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-2-9-5(4(7)8)10-3-6/h2-3H2,1H3.
What are the key properties of 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene?
1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene has a molecular weight of 156.10 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene is sourced from PubChem (CID 58637715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).