5-bromo-3,3-difluoro-1,2-dihydroindole

C8H6BrF2N — CID 135392171

IUPAC5-bromo-3,3-difluoro-1,2-dihydroindole
SMILESFC1(F)CNc2ccc(Br)cc21
InChIInChI=1S/C8H6BrF2N/c9-5-1-2-7-6(3-5)8(10,11)4-12-7/h1-3,12H,4H2
InChIKeyRBHDSQSITAAKLJ-UHFFFAOYSA-N
MW234.04 g/mol
LogP2.97
Rot. Bonds

About 5-bromo-3,3-difluoro-1,2-dihydroindole

5-bromo-3,3-difluoro-1,2-dihydroindole (PubChem CID 135392171) has the molecular formula C8H6BrF2N and a molecular weight of 234.04 g/mol. Its IUPAC name is 5-bromo-3,3-difluoro-1,2-dihydroindole.

Molecular Properties

Compound Name5-bromo-3,3-difluoro-1,2-dihydroindole
PubChem CID135392171
Molecular FormulaC8H6BrF2N
Molecular Weight234.04 g/mol
Exact Mass232.97
IUPAC Name5-bromo-3,3-difluoro-1,2-dihydroindole
SMILESFC1(F)CNc2ccc(Br)cc21
InChIInChI=1S/C8H6BrF2N/c9-5-1-2-7-6(3-5)8(10,11)4-12-7/h1-3,12H,4H2
InChIKeyRBHDSQSITAAKLJ-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701891
7-bromo-5-fluoro-5-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 84729417
5,7-dibromo-3,3-difluoro-1,2-dihydroindole
CID 10979905
(5-bromo-3-methyl-1,2-dihydroindol-3-yl)methyl acetate
CID 90124476
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
7-bromospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 113310341
8-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099424
8-bromo-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82232741
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
7-bromo-3a-methyl-2,3,4,5,10,10a-hexahydro-1H-cyclopenta[b][1,5]benzodiazepine
CID 82765251

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-difluoro-1,2-dihydroindole?
The IUPAC name of 5-bromo-3,3-difluoro-1,2-dihydroindole (CID 135392171) is 5-bromo-3,3-difluoro-1,2-dihydroindole.
What is the SMILES notation for 5-bromo-3,3-difluoro-1,2-dihydroindole?
The canonical SMILES for 5-bromo-3,3-difluoro-1,2-dihydroindole is FC1(F)CNc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-difluoro-1,2-dihydroindole?
The InChIKey is RBHDSQSITAAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N/c9-5-1-2-7-6(3-5)8(10,11)4-12-7/h1-3,12H,4H2.
What are the key properties of 5-bromo-3,3-difluoro-1,2-dihydroindole?
5-bromo-3,3-difluoro-1,2-dihydroindole has a molecular weight of 234.04 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-difluoro-1,2-dihydroindole is sourced from PubChem (CID 135392171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).