11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene

C13H19FO — CID 11009197

IUPAC11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene
SMILESCCOC1(F)C2=CC=CC1CCCCC2
InChIInChI=1S/C13H19FO/c1-2-15-13(14)11-7-4-3-5-8-12(13)10-6-9-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyJPKAXFAWUHQUOE-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.77
Rot. Bonds2

About 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene

11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene (PubChem CID 11009197) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene.

Molecular Properties

Compound Name11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene
PubChem CID11009197
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene
SMILESCCOC1(F)C2=CC=CC1CCCCC2
InChIInChI=1S/C13H19FO/c1-2-15-13(14)11-7-4-3-5-8-12(13)10-6-9-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyJPKAXFAWUHQUOE-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-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 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene?
The IUPAC name of 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene (CID 11009197) is 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene.
What is the SMILES notation for 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene?
The canonical SMILES for 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene is CCOC1(F)C2=CC=CC1CCCCC2.
What is the InChIKey of 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene?
The InChIKey is JPKAXFAWUHQUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-2-15-13(14)11-7-4-3-5-8-12(13)10-6-9-11/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene?
11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene has a molecular weight of 210.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethoxy-11-fluorobicyclo[5.3.1]undeca-1(10),8-diene is sourced from PubChem (CID 11009197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).