5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine

C9H9BrFN — CID 22757693

IUPAC5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Br)c(F)c2C1
InChIInChI=1S/C9H9BrFN/c10-8-2-1-5-3-6(12)4-7(5)9(8)11/h1-2,6H,3-4,12H2
InChIKeyZTSREWQGVBCHFI-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.01
Rot. Bonds

About 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine

5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine (PubChem CID 22757693) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine
PubChem CID22757693
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Br)c(F)c2C1
InChIInChI=1S/C9H9BrFN/c10-8-2-1-5-3-6(12)4-7(5)9(8)11/h1-2,6H,3-4,12H2
InChIKeyZTSREWQGVBCHFI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine (CID 22757693) is 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine is NC1Cc2ccc(Br)c(F)c2C1.
What is the InChIKey of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZTSREWQGVBCHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-2-1-5-3-6(12)4-7(5)9(8)11/h1-2,6H,3-4,12H2.
What are the key properties of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine?
5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 230.08 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 22757693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).