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

C7H7F — CID 21469890

IUPAC2-fluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC1=CC2C=CC1C2
InChIInChI=1S/C7H7F/c8-7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2
InChIKeyFSTNXWUSMFCMJD-UHFFFAOYSA-N
MW110.13 g/mol
LogP2.05
Rot. Bonds

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

2-fluorobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 21469890) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 2-fluorobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-fluorobicyclo[2.2.1]hepta-2,5-diene
PubChem CID21469890
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name2-fluorobicyclo[2.2.1]hepta-2,5-diene
SMILESFC1=CC2C=CC1C2
InChIInChI=1S/C7H7F/c8-7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2
InChIKeyFSTNXWUSMFCMJD-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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 2-fluorobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-fluorobicyclo[2.2.1]hepta-2,5-diene (CID 21469890) is 2-fluorobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-fluorobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-fluorobicyclo[2.2.1]hepta-2,5-diene is FC1=CC2C=CC1C2.
What is the InChIKey of 2-fluorobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is FSTNXWUSMFCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c8-7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2.
What are the key properties of 2-fluorobicyclo[2.2.1]hepta-2,5-diene?
2-fluorobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 110.13 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 21469890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).