7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine

C9H9BrFN — CID 170283398

IUPAC7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(c(Br)c1F)CCC2
InChIInChI=1S/C9H9BrFN/c10-8-6-3-1-2-5(6)4-7(12)9(8)11/h4H,1-3,12H2
InChIKeyDCEYBQYSXKZTFG-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.66
Rot. Bonds

About 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine

7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine (PubChem CID 170283398) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine
PubChem CID170283398
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(c(Br)c1F)CCC2
InChIInChI=1S/C9H9BrFN/c10-8-6-3-1-2-5(6)4-7(12)9(8)11/h4H,1-3,12H2
InChIKeyDCEYBQYSXKZTFG-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
3-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 12835985
6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine
CID 157097766
CID 89263327
CID 89263327
5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
CID 171787843
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 137003431
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117453234
6-chloro-2,3-dihydro-1H-inden-5-amine
CID 22400278
6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine
CID 130714837

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine (CID 170283398) is 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine is Nc1cc2c(c(Br)c1F)CCC2.
What is the InChIKey of 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine?
The InChIKey is DCEYBQYSXKZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-6-3-1-2-5(6)4-7(12)9(8)11/h4H,1-3,12H2.
What are the key properties of 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine?
7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine has a molecular weight of 230.08 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 170283398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).