7-fluoro-2,3-dimethyl-5H-1-benzazepine

C12H12FN — CID 86184736

IUPAC7-fluoro-2,3-dimethyl-5H-1-benzazepine
SMILESCC1=CCc2cc(F)ccc2N=C1C
InChIInChI=1S/C12H12FN/c1-8-3-4-10-7-11(13)5-6-12(10)14-9(8)2/h3,5-7H,4H2,1-2H3
InChIKeyITYYKMUDAVQOHP-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.42
Rot. Bonds

About 7-fluoro-2,3-dimethyl-5H-1-benzazepine

7-fluoro-2,3-dimethyl-5H-1-benzazepine (PubChem CID 86184736) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-5H-1-benzazepine.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-5H-1-benzazepine
PubChem CID86184736
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name7-fluoro-2,3-dimethyl-5H-1-benzazepine
SMILESCC1=CCc2cc(F)ccc2N=C1C
InChIInChI=1S/C12H12FN/c1-8-3-4-10-7-11(13)5-6-12(10)14-9(8)2/h3,5-7H,4H2,1-2H3
InChIKeyITYYKMUDAVQOHP-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-2,3-dimethyl-5H-1-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 7-fluoro-2,3-dimethyl-5H-1-benzazepine?
The IUPAC name of 7-fluoro-2,3-dimethyl-5H-1-benzazepine (CID 86184736) is 7-fluoro-2,3-dimethyl-5H-1-benzazepine.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-5H-1-benzazepine?
The canonical SMILES for 7-fluoro-2,3-dimethyl-5H-1-benzazepine is CC1=CCc2cc(F)ccc2N=C1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-5H-1-benzazepine?
The InChIKey is ITYYKMUDAVQOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-8-3-4-10-7-11(13)5-6-12(10)14-9(8)2/h3,5-7H,4H2,1-2H3.
What are the key properties of 7-fluoro-2,3-dimethyl-5H-1-benzazepine?
7-fluoro-2,3-dimethyl-5H-1-benzazepine has a molecular weight of 189.23 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-5H-1-benzazepine is sourced from PubChem (CID 86184736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).