4-chloro-6-fluorobenzo[f]isoquinoline

C13H7ClFN — CID 155141941

IUPAC4-chloro-6-fluorobenzo[f]isoquinoline
SMILESFc1cc2c(Cl)nccc2c2ccccc12
InChIInChI=1S/C13H7ClFN/c14-13-11-7-12(15)10-4-2-1-3-8(10)9(11)5-6-16-13/h1-7H
InChIKeyZACYPSIBZNFNJP-UHFFFAOYSA-N
MW231.66 g/mol
LogP4.18
Rot. Bonds

About 4-chloro-6-fluorobenzo[f]isoquinoline

4-chloro-6-fluorobenzo[f]isoquinoline (PubChem CID 155141941) has the molecular formula C13H7ClFN and a molecular weight of 231.66 g/mol. Its IUPAC name is 4-chloro-6-fluorobenzo[f]isoquinoline.

Molecular Properties

Compound Name4-chloro-6-fluorobenzo[f]isoquinoline
PubChem CID155141941
Molecular FormulaC13H7ClFN
Molecular Weight231.66 g/mol
Exact Mass231.03
IUPAC Name4-chloro-6-fluorobenzo[f]isoquinoline
SMILESFc1cc2c(Cl)nccc2c2ccccc12
InChIInChI=1S/C13H7ClFN/c14-13-11-7-12(15)10-4-2-1-3-8(10)9(11)5-6-16-13/h1-7H
InChIKeyZACYPSIBZNFNJP-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-chloro-6-fluorobenzo[f]isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluorobenzo[f]isoquinoline?
The IUPAC name of 4-chloro-6-fluorobenzo[f]isoquinoline (CID 155141941) is 4-chloro-6-fluorobenzo[f]isoquinoline.
What is the SMILES notation for 4-chloro-6-fluorobenzo[f]isoquinoline?
The canonical SMILES for 4-chloro-6-fluorobenzo[f]isoquinoline is Fc1cc2c(Cl)nccc2c2ccccc12.
What is the InChIKey of 4-chloro-6-fluorobenzo[f]isoquinoline?
The InChIKey is ZACYPSIBZNFNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN/c14-13-11-7-12(15)10-4-2-1-3-8(10)9(11)5-6-16-13/h1-7H.
What are the key properties of 4-chloro-6-fluorobenzo[f]isoquinoline?
4-chloro-6-fluorobenzo[f]isoquinoline has a molecular weight of 231.66 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluorobenzo[f]isoquinoline is sourced from PubChem (CID 155141941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).