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

C7H7F — CID 22241962

IUPAC7-fluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC1C2C=CC1C=C2
InChIInChI=1S/C7H7F/c8-7-5-1-2-6(7)4-3-5/h1-7H
InChIKeyHQFQVOXZENSWNH-UHFFFAOYSA-N
MW110.13 g/mol
LogP1.70
Rot. Bonds

About 7-fluorobicyclo[2.2.1]hepta-2,5-diene

7-fluorobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 22241962) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 7-fluorobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name7-fluorobicyclo[2.2.1]hepta-2,5-diene
PubChem CID22241962
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name7-fluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC1C2C=CC1C=C2
InChIInChI=1S/C7H7F/c8-7-5-1-2-6(7)4-3-5/h1-7H
InChIKeyHQFQVOXZENSWNH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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 7-fluorobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 7-fluorobicyclo[2.2.1]hepta-2,5-diene (CID 22241962) is 7-fluorobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 7-fluorobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 7-fluorobicyclo[2.2.1]hepta-2,5-diene is FC1C2C=CC1C=C2.
What is the InChIKey of 7-fluorobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is HQFQVOXZENSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c8-7-5-1-2-6(7)4-3-5/h1-7H.
What are the key properties of 7-fluorobicyclo[2.2.1]hepta-2,5-diene?
7-fluorobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 110.13 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 22241962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).