8-bromo-6-fluoro-3H-1-benzazepin-2-amine

C10H8BrFN2 — CID 175806991

IUPAC8-bromo-6-fluoro-3H-1-benzazepin-2-amine
SMILESNC1=Nc2cc(Br)cc(F)c2C=CC1
InChIInChI=1S/C10H8BrFN2/c11-6-4-8(12)7-2-1-3-10(13)14-9(7)5-6/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyXYDVWQUTVAPGKU-UHFFFAOYSA-N
MW255.09 g/mol
LogP2.99
Rot. Bonds

About 8-bromo-6-fluoro-3H-1-benzazepin-2-amine

8-bromo-6-fluoro-3H-1-benzazepin-2-amine (PubChem CID 175806991) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 8-bromo-6-fluoro-3H-1-benzazepin-2-amine.

Molecular Properties

Compound Name8-bromo-6-fluoro-3H-1-benzazepin-2-amine
PubChem CID175806991
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name8-bromo-6-fluoro-3H-1-benzazepin-2-amine
SMILESNC1=Nc2cc(Br)cc(F)c2C=CC1
InChIInChI=1S/C10H8BrFN2/c11-6-4-8(12)7-2-1-3-10(13)14-9(7)5-6/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyXYDVWQUTVAPGKU-UHFFFAOYSA-N
XLogP2.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-3H-1-benzazepin-2-amine?
The IUPAC name of 8-bromo-6-fluoro-3H-1-benzazepin-2-amine (CID 175806991) is 8-bromo-6-fluoro-3H-1-benzazepin-2-amine.
What is the SMILES notation for 8-bromo-6-fluoro-3H-1-benzazepin-2-amine?
The canonical SMILES for 8-bromo-6-fluoro-3H-1-benzazepin-2-amine is NC1=Nc2cc(Br)cc(F)c2C=CC1.
What is the InChIKey of 8-bromo-6-fluoro-3H-1-benzazepin-2-amine?
The InChIKey is XYDVWQUTVAPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c11-6-4-8(12)7-2-1-3-10(13)14-9(7)5-6/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 8-bromo-6-fluoro-3H-1-benzazepin-2-amine?
8-bromo-6-fluoro-3H-1-benzazepin-2-amine has a molecular weight of 255.09 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-3H-1-benzazepin-2-amine is sourced from PubChem (CID 175806991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).