(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene

C6H11FO — CID 162524115

IUPAC(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene
SMILESCCOC/C(C)=C/F
InChIInChI=1S/C6H11FO/c1-3-8-5-6(2)4-7/h4H,3,5H2,1-2H3/b6-4+
InChIKeyGWJPZZYLYPCUKB-GQCTYLIASA-N
MW118.15 g/mol
LogP1.90
Rot. Bonds3

About (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene

(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene (PubChem CID 162524115) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene.

Molecular Properties

Compound Name(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene
PubChem CID162524115
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene
SMILESCCOC/C(C)=C/F
InChIInChI=1S/C6H11FO/c1-3-8-5-6(2)4-7/h4H,3,5H2,1-2H3/b6-4+
InChIKeyGWJPZZYLYPCUKB-GQCTYLIASA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene?
The IUPAC name of (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene (CID 162524115) is (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene.
What is the SMILES notation for (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene?
The canonical SMILES for (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene is CCOC/C(C)=C/F.
What is the InChIKey of (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene?
The InChIKey is GWJPZZYLYPCUKB-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11FO/c1-3-8-5-6(2)4-7/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene?
(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene has a molecular weight of 118.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-1-fluoro-2-methylprop-1-ene is sourced from PubChem (CID 162524115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).