6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine

C21H19F2N3O — CID 66964945

About 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine

6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 66964945) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

• Compound Name: 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine
• PubChem CID: 66964945
• Molecular Formula: C21H19F2N3O
• Molecular Weight: 367.40 g/mol
• Exact Mass: 367.15
• IUPAC Name: 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine
• SMILES: CN1CCC(c2ccccc2F)c2c(F)cc(Oc3cccnn3)cc2C1
• InChI: InChI=1S/C21H19F2N3O/c1-26-10-8-17(16-5-2-3-6-18(16)22)21-14(13-26)11-15(12-19(21)23)27-20-7-4-9-24-25-20/h2-7,9,11-12,17H,8,10,13H2,1H3
• InChIKey: HDUZISZZBHEEKQ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.40
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine?

The IUPAC name of 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine (CID 66964945) is 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine.

What is the SMILES notation for 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine?

The canonical SMILES for 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine is CN1CCC(c2ccccc2F)c2c(F)cc(Oc3cccnn3)cc2C1.

What is the InChIKey of 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine?

The InChIKey is HDUZISZZBHEEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-26-10-8-17(16-5-2-3-6-18(16)22)21-14(13-26)11-15(12-19(21)23)27-20-7-4-9-24-25-20/h2-7,9,11-12,17H,8,10,13H2,1H3.

What are the key properties of 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine?

6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 367.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 66964945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).