(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene

C9H17FO3 — CID 143384261

IUPAC(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene
SMILESCOCCOCCO/C(C)=C/CF
InChIInChI=1S/C9H17FO3/c1-9(3-4-10)13-8-7-12-6-5-11-2/h3H,4-8H2,1-2H3/b9-3+
InChIKeyGGSWVTHWCXOWCK-YCRREMRBSA-N
MW192.23 g/mol
LogP1.54
Rot. Bonds8

About (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene

(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene (PubChem CID 143384261) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene.

Molecular Properties

Compound Name(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene
PubChem CID143384261
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene
SMILESCOCCOCCO/C(C)=C/CF
InChIInChI=1S/C9H17FO3/c1-9(3-4-10)13-8-7-12-6-5-11-2/h3H,4-8H2,1-2H3/b9-3+
InChIKeyGGSWVTHWCXOWCK-YCRREMRBSA-N
XLogP1.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene
CID 166905246
2-[2-(2-But-2-en-2-yloxyethoxy)ethoxy]but-2-ene
CID 87835237
1-Prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
CID 87865650
2-(2-But-2-en-2-yloxyethoxy)but-2-ene
CID 91164778
2-(2-Methoxyethoxy)but-2-ene
CID 91565338
(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene
CID 126580846
1-(2-Propan-2-yloxyethoxy)prop-1-ene
CID 139983709
2-(2-Prop-1-enoxyethoxy)butane
CID 139983710
2-(2-Ethoxyethoxy)but-2-ene
CID 141362895
(E)-2-(2-methoxyethoxy)but-2-ene
CID 143307580
(6E)-7-(2-methoxyethoxy)octa-1,3,4,6-tetraene
CID 144296463
2-Ethoxybut-2-ene;2-methoxybut-2-ene
CID 161028178

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene?
The IUPAC name of (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene (CID 143384261) is (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene.
What is the SMILES notation for (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene?
The canonical SMILES for (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene is COCCOCCO/C(C)=C/CF.
What is the InChIKey of (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene?
The InChIKey is GGSWVTHWCXOWCK-YCRREMRBSA-N. The full InChI is InChI=1S/C9H17FO3/c1-9(3-4-10)13-8-7-12-6-5-11-2/h3H,4-8H2,1-2H3/b9-3+.
What are the key properties of (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene?
(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene has a molecular weight of 192.23 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene is sourced from PubChem (CID 143384261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).