5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C20H14F3N3 — CID 66964433

IUPAC5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1cc(F)cc(C2=CCNCc3cc(-c4cccnn4)cc(F)c32)c1
InChIInChI=1S/C20H14F3N3/c21-15-7-12(8-16(22)10-15)17-3-5-24-11-14-6-13(9-18(23)20(14)17)19-2-1-4-25-26-19/h1-4,6-10,24H,5,11H2
InChIKeyZIIXDWHGWQWXHQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.10
Rot. Bonds2

About 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66964433) has the molecular formula C20H14F3N3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66964433
Molecular FormulaC20H14F3N3
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1cc(F)cc(C2=CCNCc3cc(-c4cccnn4)cc(F)c32)c1
InChIInChI=1S/C20H14F3N3/c21-15-7-12(8-16(22)10-15)17-3-5-24-11-14-6-13(9-18(23)20(14)17)19-2-1-4-25-26-19/h1-4,6-10,24H,5,11H2
InChIKeyZIIXDWHGWQWXHQ-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66964433) is 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is Fc1cc(F)cc(C2=CCNCc3cc(-c4cccnn4)cc(F)c32)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is ZIIXDWHGWQWXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3/c21-15-7-12(8-16(22)10-15)17-3-5-24-11-14-6-13(9-18(23)20(14)17)19-2-1-4-25-26-19/h1-4,6-10,24H,5,11H2.
What are the key properties of 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 353.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66964433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).