3-ethoxy-3-fluoro-2-methylprop-1-ene

C6H11FO — CID 163422164

IUPAC3-ethoxy-3-fluoro-2-methylprop-1-ene
SMILESC=C(C)C(F)OCC
InChIInChI=1S/C6H11FO/c1-4-8-6(7)5(2)3/h6H,2,4H2,1,3H3
InChIKeyAJJIBWHJWDWJMA-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.89
Rot. Bonds3

About 3-ethoxy-3-fluoro-2-methylprop-1-ene

3-ethoxy-3-fluoro-2-methylprop-1-ene (PubChem CID 163422164) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-ethoxy-3-fluoro-2-methylprop-1-ene.

Molecular Properties

Compound Name3-ethoxy-3-fluoro-2-methylprop-1-ene
PubChem CID163422164
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-ethoxy-3-fluoro-2-methylprop-1-ene
SMILESC=C(C)C(F)OCC
InChIInChI=1S/C6H11FO/c1-4-8-6(7)5(2)3/h6H,2,4H2,1,3H3
InChIKeyAJJIBWHJWDWJMA-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-fluoro-2-methylprop-1-ene?
The IUPAC name of 3-ethoxy-3-fluoro-2-methylprop-1-ene (CID 163422164) is 3-ethoxy-3-fluoro-2-methylprop-1-ene.
What is the SMILES notation for 3-ethoxy-3-fluoro-2-methylprop-1-ene?
The canonical SMILES for 3-ethoxy-3-fluoro-2-methylprop-1-ene is C=C(C)C(F)OCC.
What is the InChIKey of 3-ethoxy-3-fluoro-2-methylprop-1-ene?
The InChIKey is AJJIBWHJWDWJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-4-8-6(7)5(2)3/h6H,2,4H2,1,3H3.
What are the key properties of 3-ethoxy-3-fluoro-2-methylprop-1-ene?
3-ethoxy-3-fluoro-2-methylprop-1-ene has a molecular weight of 118.15 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-fluoro-2-methylprop-1-ene is sourced from PubChem (CID 163422164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).