6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline

C10H7BrF3N — CID 134191629

IUPAC6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESFC(F)(F)C1=NCCc2cc(Br)ccc21
InChIInChI=1S/C10H7BrF3N/c11-7-1-2-8-6(5-7)3-4-15-9(8)10(12,13)14/h1-2,5H,3-4H2
InChIKeyUGNZTNHBMRKJPK-UHFFFAOYSA-N
MW278.07 g/mol
LogP3.36
Rot. Bonds

About 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline

6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline (PubChem CID 134191629) has the molecular formula C10H7BrF3N and a molecular weight of 278.07 g/mol. Its IUPAC name is 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline
PubChem CID134191629
Molecular FormulaC10H7BrF3N
Molecular Weight278.07 g/mol
Exact Mass276.97
IUPAC Name6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESFC(F)(F)C1=NCCc2cc(Br)ccc21
InChIInChI=1S/C10H7BrF3N/c11-7-1-2-8-6(5-7)3-4-15-9(8)10(12,13)14/h1-2,5H,3-4H2
InChIKeyUGNZTNHBMRKJPK-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline (CID 134191629) is 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline is FC(F)(F)C1=NCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
The InChIKey is UGNZTNHBMRKJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N/c11-7-1-2-8-6(5-7)3-4-15-9(8)10(12,13)14/h1-2,5H,3-4H2.
What are the key properties of 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline has a molecular weight of 278.07 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(trifluoromethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 134191629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).