7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine

C10H11BrFN — CID 84728359

IUPAC7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESFC1CNCCc2ccc(Br)cc21
InChIInChI=1S/C10H11BrFN/c11-8-2-1-7-3-4-13-6-10(12)9(7)5-8/h1-2,5,10,13H,3-4,6H2
InChIKeySGHLZUBXKJXBMQ-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.61
Rot. Bonds

About 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine

7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 84728359) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID84728359
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESFC1CNCCc2ccc(Br)cc21
InChIInChI=1S/C10H11BrFN/c11-8-2-1-7-3-4-13-6-10(12)9(7)5-8/h1-2,5,10,13H,3-4,6H2
InChIKeySGHLZUBXKJXBMQ-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 84728359) is 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine is FC1CNCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is SGHLZUBXKJXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-2-1-7-3-4-13-6-10(12)9(7)5-8/h1-2,5,10,13H,3-4,6H2.
What are the key properties of 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 244.11 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 84728359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).