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

C20H17F2N3O — CID 66964233

IUPAC9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1ccccc1C1CCNCc2c1ccc(Oc1cccnn1)c2F
InChIInChI=1S/C20H17F2N3O/c21-17-5-2-1-4-15(17)14-9-11-23-12-16-13(14)7-8-18(20(16)22)26-19-6-3-10-24-25-19/h1-8,10,14,23H,9,11-12H2
InChIKeyFHSIQGIORUOYHN-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.17
Rot. Bonds3

About 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine

9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66964233) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66964233
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1ccccc1C1CCNCc2c1ccc(Oc1cccnn1)c2F
InChIInChI=1S/C20H17F2N3O/c21-17-5-2-1-4-15(17)14-9-11-23-12-16-13(14)7-8-18(20(16)22)26-19-6-3-10-24-25-19/h1-8,10,14,23H,9,11-12H2
InChIKeyFHSIQGIORUOYHN-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66964233) is 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine is Fc1ccccc1C1CCNCc2c1ccc(Oc1cccnn1)c2F.
What is the InChIKey of 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is FHSIQGIORUOYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-17-5-2-1-4-15(17)14-9-11-23-12-16-13(14)7-8-18(20(16)22)26-19-6-3-10-24-25-19/h1-8,10,14,23H,9,11-12H2.
What are the key properties of 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 353.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66964233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).