5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole

C16H13BrF3N — CID 171369199

IUPAC5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1ccccc1CN1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H13BrF3N/c17-14-6-5-11-8-21(10-13(11)7-14)9-12-3-1-2-4-15(12)16(18,19)20/h1-7H,8-10H2
InChIKeyZYYNOPRJRMEPPW-UHFFFAOYSA-N
MW356.19 g/mol
LogP4.98
Rot. Bonds2

About 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole

5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole (PubChem CID 171369199) has the molecular formula C16H13BrF3N and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
PubChem CID171369199
Molecular FormulaC16H13BrF3N
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC Name5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1ccccc1CN1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H13BrF3N/c17-14-6-5-11-8-21(10-13(11)7-14)9-12-3-1-2-4-15(12)16(18,19)20/h1-7H,8-10H2
InChIKeyZYYNOPRJRMEPPW-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2-prop-2-ynyl-1,3-dihydroisoindole
CID 83520986
5-Bromoisoindoline
CID 14795871
6-Bromo-4-fluoro-2,3-dihydro-1H-isoindole
CID 18629358
5-bromo-2,3-dihydro-1H-isoindole hydrochloride
CID 49853471
6-Bromo-4-fluoro-2,3-dihydro-1H-isoindole hydrochloride
CID 92134872
5-bromo-6-fluoro-2,3-dihydro-1H-isoindole hydrochloride
CID 118482500
(R)-5-Bromo-1-methyl-2-tritylisoindoline
CID 53897714
2-Benzyl-4-bromo-2,3-dihydro-1H-isoindole
CID 52988158
1-[(4-Bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine
CID 20895911
6-Bromo-4-fluoro-2-trityl-1,3-dihydroisoindole
CID 18629364
1-Benzyl-4-(4-bromo-2,5-difluorophenyl)-2,3-dihydropyrrole
CID 19915206
1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine
CID 24774457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
The IUPAC name of 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole (CID 171369199) is 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
The canonical SMILES for 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole is FC(F)(F)c1ccccc1CN1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
The InChIKey is ZYYNOPRJRMEPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N/c17-14-6-5-11-8-21(10-13(11)7-14)9-12-3-1-2-4-15(12)16(18,19)20/h1-7H,8-10H2.
What are the key properties of 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole?
5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole has a molecular weight of 356.19 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 171369199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).