4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole

C9H7BrF3N — CID 118862256

IUPAC4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1cc(Br)c2c(c1)NCC2
InChIInChI=1S/C9H7BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h3-4,14H,1-2H2
InChIKeyFITCRRHDJKKTFY-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.44
Rot. Bonds

About 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole

4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 118862256) has the molecular formula C9H7BrF3N and a molecular weight of 266.06 g/mol. Its IUPAC name is 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID118862256
Molecular FormulaC9H7BrF3N
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1cc(Br)c2c(c1)NCC2
InChIInChI=1S/C9H7BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h3-4,14H,1-2H2
InChIKeyFITCRRHDJKKTFY-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dibromo-2,3-dihydro-1H-indole
CID 118997689
8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84715045
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
CID 144858961
4,6-difluoro-2,3-dihydro-1H-indole;hydrochloride
CID 53421763
7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 69266032
4-methylidene-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 129083834
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432328
4-fluoro-6-methyl-2,3-dihydro-1H-indole
CID 123734909
5,6-dibromo-2,3-dihydro-1H-indole
CID 82626452
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
3-bromo-2,5-bis(trifluoromethyl)benzenethiol
CID 118990966

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 118862256) is 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)c1cc(Br)c2c(c1)NCC2.
What is the InChIKey of 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is FITCRRHDJKKTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h3-4,14H,1-2H2.
What are the key properties of 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 266.06 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 118862256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).