7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine

C11H12FN — CID 142520484

IUPAC7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
SMILESCc1cc(F)cc2c1NCCC=C2
InChIInChI=1S/C11H12FN/c1-8-6-10(12)7-9-4-2-3-5-13-11(8)9/h2,4,6-7,13H,3,5H2,1H3
InChIKeyWBJBFRLIJZSPDE-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.96
Rot. Bonds

About 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine

7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine (PubChem CID 142520484) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine.

Molecular Properties

Compound Name7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
PubChem CID142520484
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
SMILESCc1cc(F)cc2c1NCCC=C2
InChIInChI=1S/C11H12FN/c1-8-6-10(12)7-9-4-2-3-5-13-11(8)9/h2,4,6-7,13H,3,5H2,1H3
InChIKeyWBJBFRLIJZSPDE-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
The IUPAC name of 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine (CID 142520484) is 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine.
What is the SMILES notation for 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
The canonical SMILES for 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine is Cc1cc(F)cc2c1NCCC=C2.
What is the InChIKey of 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
The InChIKey is WBJBFRLIJZSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-8-6-10(12)7-9-4-2-3-5-13-11(8)9/h2,4,6-7,13H,3,5H2,1H3.
What are the key properties of 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine has a molecular weight of 177.22 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine is sourced from PubChem (CID 142520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).