2,3-difluorobicyclo[2.2.1]hepta-2,5-diene

C7H6F2 — CID 15129214

IUPAC2,3-difluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC1=C(F)C2C=CC1C2
InChIInChI=1S/C7H6F2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChIKeyFBIUFNBIYZPHLC-UHFFFAOYSA-N
MW128.12 g/mol
LogP2.34
Rot. Bonds

About 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene

2,3-difluorobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 15129214) has the molecular formula C7H6F2 and a molecular weight of 128.12 g/mol. Its IUPAC name is 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3-difluorobicyclo[2.2.1]hepta-2,5-diene
PubChem CID15129214
Molecular FormulaC7H6F2
Molecular Weight128.12 g/mol
Exact Mass128.04
IUPAC Name2,3-difluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC1=C(F)C2C=CC1C2
InChIInChI=1S/C7H6F2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChIKeyFBIUFNBIYZPHLC-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene with MolForge

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

Launch Full Analysis

Related Compounds

Norbornadiene
CID 8473
Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide
CID 12644165
3-(2,2-Difluoroethenyl)cyclopentene
CID 134989112
CID 85728166
CID 85728166
CID 58528208
CID 58528208
2-Fluorobicyclo[2.2.1]hepta-2,5-diene
CID 21469890
5,5,6-Trifluorobicyclo[2.2.1]hept-2-ene
CID 21960487
5,6-Difluorobicyclo[2.2.1]hept-2-ene
CID 21960493
7-Fluorobicyclo[2.2.1]hepta-2,5-diene
CID 22241962
2-(Trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 23268650
3-(Trifluoromethyl)cyclopentene
CID 58922243
3-Fluoro-5-(fluoromethyl)cyclopentene
CID 59893069

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene (CID 15129214) is 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene is FC1=C(F)C2C=CC1C2.
What is the InChIKey of 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is FBIUFNBIYZPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2.
What are the key properties of 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene?
2,3-difluorobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 128.12 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 15129214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).