1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C12H14F3N — CID 83354458

IUPAC1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3N/c1-2-11-10-4-3-9(12(13,14)15)7-8(10)5-6-16-11/h3-4,7,11,16H,2,5-6H2,1H3
InChIKeyXXJVQAYIQWBYII-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.30
Rot. Bonds1

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

1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83354458) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID83354458
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3N/c1-2-11-10-4-3-9(12(13,14)15)7-8(10)5-6-16-11/h3-4,7,11,16H,2,5-6H2,1H3
InChIKeyXXJVQAYIQWBYII-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 83354458) is 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is CCC1NCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XXJVQAYIQWBYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-11-10-4-3-9(12(13,14)15)7-8(10)5-6-16-11/h3-4,7,11,16H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 229.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83354458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).