5-bromo-4-fluoro-1-methyl-2,3-dihydroindole

C9H9BrFN — CID 139398741

IUPAC5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
SMILESCN1CCc2c1ccc(Br)c2F
InChIInChI=1S/C9H9BrFN/c1-12-5-4-6-8(12)3-2-7(10)9(6)11/h2-3H,4-5H2,1H3
InChIKeyLMXNNRZTCASPJC-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.58
Rot. Bonds

About 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole

5-bromo-4-fluoro-1-methyl-2,3-dihydroindole (PubChem CID 139398741) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
PubChem CID139398741
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
SMILESCN1CCc2c1ccc(Br)c2F
InChIInChI=1S/C9H9BrFN/c1-12-5-4-6-8(12)3-2-7(10)9(6)11/h2-3H,4-5H2,1H3
InChIKeyLMXNNRZTCASPJC-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole (CID 139398741) is 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole is CN1CCc2c1ccc(Br)c2F.
What is the InChIKey of 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
The InChIKey is LMXNNRZTCASPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c1-12-5-4-6-8(12)3-2-7(10)9(6)11/h2-3H,4-5H2,1H3.
What are the key properties of 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
5-bromo-4-fluoro-1-methyl-2,3-dihydroindole has a molecular weight of 230.08 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 139398741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).