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

C11H12FN — CID 131973588

IUPAC8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
SMILESCc1c(F)ccc2c1NCCC=C2
InChIInChI=1S/C11H12FN/c1-8-10(12)6-5-9-4-2-3-7-13-11(8)9/h2,4-6,13H,3,7H2,1H3
InChIKeyILLJGYBRRKWEQY-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.96
Rot. Bonds

About 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine

8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine (PubChem CID 131973588) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine.

Molecular Properties

Compound Name8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
PubChem CID131973588
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
SMILESCc1c(F)ccc2c1NCCC=C2
InChIInChI=1S/C11H12FN/c1-8-10(12)6-5-9-4-2-3-7-13-11(8)9/h2,4-6,13H,3,7H2,1H3
InChIKeyILLJGYBRRKWEQY-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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Related Compounds

7-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
CID 142520484
7-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 130863196
1,7,13-triazacyclooctadeca-3,9,15-triene-2,8,14-trione
CID 71362083
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
8-fluoro-5-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 131213972
6,7-dimethyl-2,3-dihydro-1H-indole
CID 16792444
3,6-difluoro-2-methylphenol
CID 66721696
4-chloro-7-fluoro-2,3-dihydro-1H-indole
CID 16783865
7-fluoro-2,3-dihydro-1H-indol-4-ol
CID 83872655
5-fluoro-4-methyl-2,3-dihydro-1H-isoindole
CID 130064496
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
2-chloro-4-fluoro-3-methylaniline
CID 13251510

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
The IUPAC name of 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine (CID 131973588) is 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine.
What is the SMILES notation for 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
The canonical SMILES for 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine is Cc1c(F)ccc2c1NCCC=C2.
What is the InChIKey of 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
The InChIKey is ILLJGYBRRKWEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-8-10(12)6-5-9-4-2-3-7-13-11(8)9/h2,4-6,13H,3,7H2,1H3.
What are the key properties of 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine?
8-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 8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine is sourced from PubChem (CID 131973588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).