7-fluoro-2-methoxycyclohepta-1,3,5-triene

C8H9FO — CID 89116901

IUPAC7-fluoro-2-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CC(F)C=CC=C1
InChIInChI=1S/C8H9FO/c1-10-8-5-3-2-4-7(9)6-8/h2-7H,1H3
InChIKeyJALOLWMIJMYAPI-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.98
Rot. Bonds1

About 7-fluoro-2-methoxycyclohepta-1,3,5-triene

7-fluoro-2-methoxycyclohepta-1,3,5-triene (PubChem CID 89116901) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 7-fluoro-2-methoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-fluoro-2-methoxycyclohepta-1,3,5-triene
PubChem CID89116901
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name7-fluoro-2-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CC(F)C=CC=C1
InChIInChI=1S/C8H9FO/c1-10-8-5-3-2-4-7(9)6-8/h2-7H,1H3
InChIKeyJALOLWMIJMYAPI-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-2-methoxycyclohepta-1,3,5-triene 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 7-fluoro-2-methoxycyclohepta-1,3,5-triene?
The IUPAC name of 7-fluoro-2-methoxycyclohepta-1,3,5-triene (CID 89116901) is 7-fluoro-2-methoxycyclohepta-1,3,5-triene.
What is the SMILES notation for 7-fluoro-2-methoxycyclohepta-1,3,5-triene?
The canonical SMILES for 7-fluoro-2-methoxycyclohepta-1,3,5-triene is COC1=CC(F)C=CC=C1.
What is the InChIKey of 7-fluoro-2-methoxycyclohepta-1,3,5-triene?
The InChIKey is JALOLWMIJMYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-10-8-5-3-2-4-7(9)6-8/h2-7H,1H3.
What are the key properties of 7-fluoro-2-methoxycyclohepta-1,3,5-triene?
7-fluoro-2-methoxycyclohepta-1,3,5-triene has a molecular weight of 140.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 89116901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).