6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole

C10H11BrFN — CID 178022194

IUPAC6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2cc(Br)cc(F)c21
InChIInChI=1S/C10H11BrFN/c1-10(2)5-13-8-4-6(11)3-7(12)9(8)10/h3-4,13H,5H2,1-2H3
InChIKeyKBOPZPUGTDJYPE-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.29
Rot. Bonds

About 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole

6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole (PubChem CID 178022194) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole
PubChem CID178022194
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2cc(Br)cc(F)c21
InChIInChI=1S/C10H11BrFN/c1-10(2)5-13-8-4-6(11)3-7(12)9(8)10/h3-4,13H,5H2,1-2H3
InChIKeyKBOPZPUGTDJYPE-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 156632845
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
CID 136576261
4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
CID 58386473
7-bromo-8-fluoro-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115429310
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline
CID 175743250
3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
CID 70980229
5-bromo-3,3,7-trimethyl-1,2-dihydroindole
CID 79016325
7-bromo-8-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 116739886
7-fluoro-3,3,8-trimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 103594495
(6aR,10aR)-2-bromo-5a-methyl-5,6,6a,7,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
CID 67753169
5-bromo-1,3-difluoro-2-(1-isocyanocyclopropyl)benzene
CID 58762463

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole (CID 178022194) is 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2cc(Br)cc(F)c21.
What is the InChIKey of 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is KBOPZPUGTDJYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-10(2)5-13-8-4-6(11)3-7(12)9(8)10/h3-4,13H,5H2,1-2H3.
What are the key properties of 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole?
6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 244.11 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 178022194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).