1-ethoxy-4-fluorocyclohexa-1,3-diene

C8H11FO — CID 123341340

IUPAC1-ethoxy-4-fluorocyclohexa-1,3-diene
SMILESCCOC1=CC=C(F)CC1
InChIInChI=1S/C8H11FO/c1-2-10-8-5-3-7(9)4-6-8/h3,5H,2,4,6H2,1H3
InChIKeyZIRUGXMWYAYKOY-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.55
Rot. Bonds2

About 1-ethoxy-4-fluorocyclohexa-1,3-diene

1-ethoxy-4-fluorocyclohexa-1,3-diene (PubChem CID 123341340) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 1-ethoxy-4-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-4-fluorocyclohexa-1,3-diene
PubChem CID123341340
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name1-ethoxy-4-fluorocyclohexa-1,3-diene
SMILESCCOC1=CC=C(F)CC1
InChIInChI=1S/C8H11FO/c1-2-10-8-5-3-7(9)4-6-8/h3,5H,2,4,6H2,1H3
InChIKeyZIRUGXMWYAYKOY-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-4-fluorocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-4-fluorocyclohexa-1,3-diene (CID 123341340) is 1-ethoxy-4-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-4-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-4-fluorocyclohexa-1,3-diene is CCOC1=CC=C(F)CC1.
What is the InChIKey of 1-ethoxy-4-fluorocyclohexa-1,3-diene?
The InChIKey is ZIRUGXMWYAYKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-2-10-8-5-3-7(9)4-6-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-ethoxy-4-fluorocyclohexa-1,3-diene?
1-ethoxy-4-fluorocyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 123341340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).