3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene

C10H15FO2 — CID 70281019

IUPAC3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene
SMILESCCC1(OCOC)C=CCC(F)=C1
InChIInChI=1S/C10H15FO2/c1-3-10(13-8-12-2)6-4-5-9(11)7-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyIESYYGLUHXJGGM-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.57
Rot. Bonds4

About 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene

3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene (PubChem CID 70281019) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene
PubChem CID70281019
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene
SMILESCCC1(OCOC)C=CCC(F)=C1
InChIInChI=1S/C10H15FO2/c1-3-10(13-8-12-2)6-4-5-9(11)7-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyIESYYGLUHXJGGM-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-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 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene?
The IUPAC name of 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene (CID 70281019) is 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene.
What is the SMILES notation for 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene?
The canonical SMILES for 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene is CCC1(OCOC)C=CCC(F)=C1.
What is the InChIKey of 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene?
The InChIKey is IESYYGLUHXJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-3-10(13-8-12-2)6-4-5-9(11)7-10/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene?
3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene has a molecular weight of 186.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene is sourced from PubChem (CID 70281019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).