6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid

C8H9FO2 — CID 154484038

IUPAC6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESO=C(O)C12C=CC(CC1F)C2
InChIInChI=1S/C8H9FO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyOBOMXAKABWLFOF-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.38
Rot. Bonds1

About 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid

6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid (PubChem CID 154484038) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid
PubChem CID154484038
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESO=C(O)C12C=CC(CC1F)C2
InChIInChI=1S/C8H9FO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyOBOMXAKABWLFOF-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid 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 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The IUPAC name of 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid (CID 154484038) is 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid.
What is the SMILES notation for 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The canonical SMILES for 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid is O=C(O)C12C=CC(CC1F)C2.
What is the InChIKey of 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The InChIKey is OBOMXAKABWLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h1-2,5-6H,3-4H2,(H,10,11).
What are the key properties of 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid has a molecular weight of 156.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorobicyclo[2.2.1]hept-2-ene-1-carboxylic acid is sourced from PubChem (CID 154484038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).