1-fluorobicyclo[2.2.1]hepta-2,5-diene

C7H7F — CID 139664036

IUPAC1-fluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC12C=CC(C=C1)C2
InChIInChI=1S/C7H7F/c8-7-3-1-6(5-7)2-4-7/h1-4,6H,5H2
InChIKeyJEPHLOBVFBIGJU-UHFFFAOYSA-N
MW110.13 g/mol
LogP1.84
Rot. Bonds

About 1-fluorobicyclo[2.2.1]hepta-2,5-diene

1-fluorobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 139664036) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 1-fluorobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name1-fluorobicyclo[2.2.1]hepta-2,5-diene
PubChem CID139664036
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name1-fluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC12C=CC(C=C1)C2
InChIInChI=1S/C7H7F/c8-7-3-1-6(5-7)2-4-7/h1-4,6H,5H2
InChIKeyJEPHLOBVFBIGJU-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 1-fluorobicyclo[2.2.1]hepta-2,5-diene (CID 139664036) is 1-fluorobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 1-fluorobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 1-fluorobicyclo[2.2.1]hepta-2,5-diene is FC12C=CC(C=C1)C2.
What is the InChIKey of 1-fluorobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is JEPHLOBVFBIGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c8-7-3-1-6(5-7)2-4-7/h1-4,6H,5H2.
What are the key properties of 1-fluorobicyclo[2.2.1]hepta-2,5-diene?
1-fluorobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 110.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 139664036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).