5,7-dibromo-3,3-difluoro-1,2-dihydroindole

C8H5Br2F2N — CID 10979905

IUPAC5,7-dibromo-3,3-difluoro-1,2-dihydroindole
SMILESFC1(F)CNc2c(Br)cc(Br)cc21
InChIInChI=1S/C8H5Br2F2N/c9-4-1-5-7(6(10)2-4)13-3-8(5,11)12/h1-2,13H,3H2
InChIKeyGFXMPKJQPQNTGX-UHFFFAOYSA-N
MW312.94 g/mol
LogP3.73
Rot. Bonds

About 5,7-dibromo-3,3-difluoro-1,2-dihydroindole

5,7-dibromo-3,3-difluoro-1,2-dihydroindole (PubChem CID 10979905) has the molecular formula C8H5Br2F2N and a molecular weight of 312.94 g/mol. Its IUPAC name is 5,7-dibromo-3,3-difluoro-1,2-dihydroindole.

Molecular Properties

Compound Name5,7-dibromo-3,3-difluoro-1,2-dihydroindole
PubChem CID10979905
Molecular FormulaC8H5Br2F2N
Molecular Weight312.94 g/mol
Exact Mass310.88
IUPAC Name5,7-dibromo-3,3-difluoro-1,2-dihydroindole
SMILESFC1(F)CNc2c(Br)cc(Br)cc21
InChIInChI=1S/C8H5Br2F2N/c9-4-1-5-7(6(10)2-4)13-3-8(5,11)12/h1-2,13H,3H2
InChIKeyGFXMPKJQPQNTGX-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.94
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3,3-difluoro-1,2-dihydroindole
CID 135392171
5-bromo-3,3,7-trimethyl-1,2-dihydroindole
CID 79016325
7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
CID 106701962
7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701792
6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 624103
8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline
CID 84728812
7-bromo-5-fluoro-5-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 84729417
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
CID 84728816
(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
CID 7234389
(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
CID 7708052
5-bromo-4-chloro-3,3,7-trimethyl-1,2-dihydroindole
CID 165498852
7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3,3-difluoro-1,2-dihydroindole?
The IUPAC name of 5,7-dibromo-3,3-difluoro-1,2-dihydroindole (CID 10979905) is 5,7-dibromo-3,3-difluoro-1,2-dihydroindole.
What is the SMILES notation for 5,7-dibromo-3,3-difluoro-1,2-dihydroindole?
The canonical SMILES for 5,7-dibromo-3,3-difluoro-1,2-dihydroindole is FC1(F)CNc2c(Br)cc(Br)cc21.
What is the InChIKey of 5,7-dibromo-3,3-difluoro-1,2-dihydroindole?
The InChIKey is GFXMPKJQPQNTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F2N/c9-4-1-5-7(6(10)2-4)13-3-8(5,11)12/h1-2,13H,3H2.
What are the key properties of 5,7-dibromo-3,3-difluoro-1,2-dihydroindole?
5,7-dibromo-3,3-difluoro-1,2-dihydroindole has a molecular weight of 312.94 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3,3-difluoro-1,2-dihydroindole is sourced from PubChem (CID 10979905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).