3-ethoxy-2-fluorohexa-1,3,5-triene

C8H11FO — CID 123454257

IUPAC3-ethoxy-2-fluorohexa-1,3,5-triene
SMILESC=CC=C(OCC)C(=C)F
InChIInChI=1S/C8H11FO/c1-4-6-8(7(3)9)10-5-2/h4,6H,1,3,5H2,2H3
InChIKeySFBUYXHDDMSTDY-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.58
Rot. Bonds4

About 3-ethoxy-2-fluorohexa-1,3,5-triene

3-ethoxy-2-fluorohexa-1,3,5-triene (PubChem CID 123454257) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 3-ethoxy-2-fluorohexa-1,3,5-triene.

Molecular Properties

Compound Name3-ethoxy-2-fluorohexa-1,3,5-triene
PubChem CID123454257
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name3-ethoxy-2-fluorohexa-1,3,5-triene
SMILESC=CC=C(OCC)C(=C)F
InChIInChI=1S/C8H11FO/c1-4-6-8(7(3)9)10-5-2/h4,6H,1,3,5H2,2H3
InChIKeySFBUYXHDDMSTDY-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluorohexa-1,3,5-triene?
The IUPAC name of 3-ethoxy-2-fluorohexa-1,3,5-triene (CID 123454257) is 3-ethoxy-2-fluorohexa-1,3,5-triene.
What is the SMILES notation for 3-ethoxy-2-fluorohexa-1,3,5-triene?
The canonical SMILES for 3-ethoxy-2-fluorohexa-1,3,5-triene is C=CC=C(OCC)C(=C)F.
What is the InChIKey of 3-ethoxy-2-fluorohexa-1,3,5-triene?
The InChIKey is SFBUYXHDDMSTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-4-6-8(7(3)9)10-5-2/h4,6H,1,3,5H2,2H3.
What are the key properties of 3-ethoxy-2-fluorohexa-1,3,5-triene?
3-ethoxy-2-fluorohexa-1,3,5-triene has a molecular weight of 142.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluorohexa-1,3,5-triene is sourced from PubChem (CID 123454257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).