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

C10H11BrFN — CID 10933703

IUPAC8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFC1CNCc2cc(Br)ccc2C1
InChIInChI=1S/C10H11BrFN/c11-9-2-1-7-4-10(12)6-13-5-8(7)3-9/h1-3,10,13H,4-6H2
InChIKeyOOYOOYBFEFELCQ-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.43
Rot. Bonds

About 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine

8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 10933703) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID10933703
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFC1CNCc2cc(Br)ccc2C1
InChIInChI=1S/C10H11BrFN/c11-9-2-1-7-4-10(12)6-13-5-8(7)3-9/h1-3,10,13H,4-6H2
InChIKeyOOYOOYBFEFELCQ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 10933703) is 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine is FC1CNCc2cc(Br)ccc2C1.
What is the InChIKey of 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is OOYOOYBFEFELCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-2-1-7-4-10(12)6-13-5-8(7)3-9/h1-3,10,13H,4-6H2.
What are the key properties of 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 244.11 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 10933703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).