8-fluoro-7-methyl-1H-3-benzazepine

C11H10FN — CID 142943236

IUPAC8-fluoro-7-methyl-1H-3-benzazepine
SMILESCc1cc2c(cc1F)CC=NC=C2
InChIInChI=1S/C11H10FN/c1-8-6-9-2-4-13-5-3-10(9)7-11(8)12/h2,4-7H,3H2,1H3
InChIKeyIQDBSVDDMGTVBD-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.73
Rot. Bonds

About 8-fluoro-7-methyl-1H-3-benzazepine

8-fluoro-7-methyl-1H-3-benzazepine (PubChem CID 142943236) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 8-fluoro-7-methyl-1H-3-benzazepine.

Molecular Properties

Compound Name8-fluoro-7-methyl-1H-3-benzazepine
PubChem CID142943236
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name8-fluoro-7-methyl-1H-3-benzazepine
SMILESCc1cc2c(cc1F)CC=NC=C2
InChIInChI=1S/C11H10FN/c1-8-6-9-2-4-13-5-3-10(9)7-11(8)12/h2,4-7H,3H2,1H3
InChIKeyIQDBSVDDMGTVBD-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-7-methyl-1H-3-benzazepine 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 8-fluoro-7-methyl-1H-3-benzazepine?
The IUPAC name of 8-fluoro-7-methyl-1H-3-benzazepine (CID 142943236) is 8-fluoro-7-methyl-1H-3-benzazepine.
What is the SMILES notation for 8-fluoro-7-methyl-1H-3-benzazepine?
The canonical SMILES for 8-fluoro-7-methyl-1H-3-benzazepine is Cc1cc2c(cc1F)CC=NC=C2.
What is the InChIKey of 8-fluoro-7-methyl-1H-3-benzazepine?
The InChIKey is IQDBSVDDMGTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-8-6-9-2-4-13-5-3-10(9)7-11(8)12/h2,4-7H,3H2,1H3.
What are the key properties of 8-fluoro-7-methyl-1H-3-benzazepine?
8-fluoro-7-methyl-1H-3-benzazepine has a molecular weight of 175.21 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-1H-3-benzazepine is sourced from PubChem (CID 142943236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).