7-bromo-4-fluoro-4H-azepine

C6H5BrFN — CID 143189914

IUPAC7-bromo-4-fluoro-4H-azepine
SMILESFC1C=CN=C(Br)C=C1
InChIInChI=1S/C6H5BrFN/c7-6-2-1-5(8)3-4-9-6/h1-5H
InChIKeyGVTHXLMLHWCTFH-UHFFFAOYSA-N
MW190.02 g/mol
LogP2.20
Rot. Bonds

About 7-bromo-4-fluoro-4H-azepine

7-bromo-4-fluoro-4H-azepine (PubChem CID 143189914) has the molecular formula C6H5BrFN and a molecular weight of 190.02 g/mol. Its IUPAC name is 7-bromo-4-fluoro-4H-azepine.

Molecular Properties

Compound Name7-bromo-4-fluoro-4H-azepine
PubChem CID143189914
Molecular FormulaC6H5BrFN
Molecular Weight190.02 g/mol
Exact Mass188.96
IUPAC Name7-bromo-4-fluoro-4H-azepine
SMILESFC1C=CN=C(Br)C=C1
InChIInChI=1S/C6H5BrFN/c7-6-2-1-5(8)3-4-9-6/h1-5H
InChIKeyGVTHXLMLHWCTFH-UHFFFAOYSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromo-3-fluoro-2,3-dihydropyridine
CID 123887504
6-bromo-4,5-difluoro-4H-azepine
CID 138645425
2,7-dibromo-5-fluoro-4H-azepine
CID 163705242
(Z)-N-ethenyl-5-fluoropent-2-enimidoyl fluoride
CID 174311553
6-bromo-4H-azepine
CID 155180597

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-4H-azepine?
The IUPAC name of 7-bromo-4-fluoro-4H-azepine (CID 143189914) is 7-bromo-4-fluoro-4H-azepine.
What is the SMILES notation for 7-bromo-4-fluoro-4H-azepine?
The canonical SMILES for 7-bromo-4-fluoro-4H-azepine is FC1C=CN=C(Br)C=C1.
What is the InChIKey of 7-bromo-4-fluoro-4H-azepine?
The InChIKey is GVTHXLMLHWCTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN/c7-6-2-1-5(8)3-4-9-6/h1-5H.
What are the key properties of 7-bromo-4-fluoro-4H-azepine?
7-bromo-4-fluoro-4H-azepine has a molecular weight of 190.02 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-4H-azepine is sourced from PubChem (CID 143189914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).