5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride

C10H12BrClFN — CID 136576261

IUPAC5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
SMILESCC1(C)CNc2cc(F)c(Br)cc21.Cl
InChIInChI=1S/C10H11BrFN.ClH/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10;/h3-4,13H,5H2,1-2H3;1H
InChIKeyNNECQJFJDHPJLM-UHFFFAOYSA-N
MW280.57 g/mol
LogP3.71
Rot. Bonds

About 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride

5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride (PubChem CID 136576261) has the molecular formula C10H12BrClFN and a molecular weight of 280.57 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride.

Molecular Properties

Compound Name5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
PubChem CID136576261
Molecular FormulaC10H12BrClFN
Molecular Weight280.57 g/mol
Exact Mass278.98
IUPAC Name5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
SMILESCC1(C)CNc2cc(F)c(Br)cc21.Cl
InChIInChI=1S/C10H11BrFN.ClH/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10;/h3-4,13H,5H2,1-2H3;1H
InChIKeyNNECQJFJDHPJLM-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The IUPAC name of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride (CID 136576261) is 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride.
What is the SMILES notation for 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The canonical SMILES for 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride is CC1(C)CNc2cc(F)c(Br)cc21.Cl.
What is the InChIKey of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The InChIKey is NNECQJFJDHPJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN.ClH/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10;/h3-4,13H,5H2,1-2H3;1H.
What are the key properties of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride has a molecular weight of 280.57 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride is sourced from PubChem (CID 136576261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).