8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H9BrF3N — CID 84715045

IUPAC8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1cc(Br)c2c(c1)CCNC2
InChIInChI=1S/C10H9BrF3N/c11-9-4-7(10(12,13)14)3-6-1-2-15-5-8(6)9/h3-4,15H,1-2,5H2
InChIKeyUAJMZLMIPGGDCJ-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.11
Rot. Bonds

About 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84715045) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID84715045
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1cc(Br)c2c(c1)CCNC2
InChIInChI=1S/C10H9BrF3N/c11-9-4-7(10(12,13)14)3-6-1-2-15-5-8(6)9/h3-4,15H,1-2,5H2
InChIKeyUAJMZLMIPGGDCJ-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline 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

4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 118862256
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 58629584
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
[3,5-bis(trifluoromethyl)phenyl]methanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 160949721
bis(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
CID 173031147
methyl 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
CID 56777020
4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
CID 140504781
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
CID 144858961
2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 157384589
6,7,8-trichloro-1,2,3,4-tetrahydroisoquinoline
CID 12595086
4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 155459340
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
CID 168943654

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 84715045) is 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)c1cc(Br)c2c(c1)CCNC2.
What is the InChIKey of 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UAJMZLMIPGGDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-9-4-7(10(12,13)14)3-6-1-2-15-5-8(6)9/h3-4,15H,1-2,5H2.
What are the key properties of 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 280.09 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84715045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).