4-fluorocyclohepta-2,6-dien-1-imine

C7H8FN — CID 123197524

IUPAC4-fluorocyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(F)C=C1
InChIInChI=1S/C7H8FN/c8-6-2-1-3-7(9)5-4-6/h1,3-6,9H,2H2/b9-7+
InChIKeyPNNSGPGRRCRTIZ-VQHVLOKHSA-N
MW125.15 g/mol
LogP1.86
Rot. Bonds

About 4-fluorocyclohepta-2,6-dien-1-imine

4-fluorocyclohepta-2,6-dien-1-imine (PubChem CID 123197524) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 4-fluorocyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name4-fluorocyclohepta-2,6-dien-1-imine
PubChem CID123197524
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name4-fluorocyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(F)C=C1
InChIInChI=1S/C7H8FN/c8-6-2-1-3-7(9)5-4-6/h1,3-6,9H,2H2/b9-7+
InChIKeyPNNSGPGRRCRTIZ-VQHVLOKHSA-N
XLogP1.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorocyclohepta-2,6-dien-1-imine?
The IUPAC name of 4-fluorocyclohepta-2,6-dien-1-imine (CID 123197524) is 4-fluorocyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 4-fluorocyclohepta-2,6-dien-1-imine?
The canonical SMILES for 4-fluorocyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCC(F)C=C1.
What is the InChIKey of 4-fluorocyclohepta-2,6-dien-1-imine?
The InChIKey is PNNSGPGRRCRTIZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H8FN/c8-6-2-1-3-7(9)5-4-6/h1,3-6,9H,2H2/b9-7+.
What are the key properties of 4-fluorocyclohepta-2,6-dien-1-imine?
4-fluorocyclohepta-2,6-dien-1-imine has a molecular weight of 125.15 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123197524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).