1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane

C5H6F4O2 — CID 87288229

IUPAC1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane
SMILESC=COC(F)(OC)C(F)(F)F
InChIInChI=1S/C5H6F4O2/c1-3-11-5(9,10-2)4(6,7)8/h3H,1H2,2H3
InChIKeyLYCJWRQKAOTIAM-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.98
Rot. Bonds3

About 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane

1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane (PubChem CID 87288229) has the molecular formula C5H6F4O2 and a molecular weight of 174.09 g/mol. Its IUPAC name is 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane.

Molecular Properties

Compound Name1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane
PubChem CID87288229
Molecular FormulaC5H6F4O2
Molecular Weight174.09 g/mol
Exact Mass174.03
IUPAC Name1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane
SMILESC=COC(F)(OC)C(F)(F)F
InChIInChI=1S/C5H6F4O2/c1-3-11-5(9,10-2)4(6,7)8/h3H,1H2,2H3
InChIKeyLYCJWRQKAOTIAM-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane?
The IUPAC name of 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane (CID 87288229) is 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane.
What is the SMILES notation for 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane?
The canonical SMILES for 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane is C=COC(F)(OC)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane?
The InChIKey is LYCJWRQKAOTIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2/c1-3-11-5(9,10-2)4(6,7)8/h3H,1H2,2H3.
What are the key properties of 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane?
1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane has a molecular weight of 174.09 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane is sourced from PubChem (CID 87288229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).