6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C13H16F3NO3 — CID 83970461

IUPAC6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1OC)C(C(F)(F)F)NCC2
InChIInChI=1S/C13H16F3NO3/c1-18-8-6-7-4-5-17-12(13(14,15)16)9(7)11(20-3)10(8)19-2/h6,12,17H,4-5H2,1-3H3
InChIKeyFDDGFJOYIACDKY-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.46
Rot. Bonds3

About 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970461) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970461
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1OC)C(C(F)(F)F)NCC2
InChIInChI=1S/C13H16F3NO3/c1-18-8-6-7-4-5-17-12(13(14,15)16)9(7)11(20-3)10(8)19-2/h6,12,17H,4-5H2,1-3H3
InChIKeyFDDGFJOYIACDKY-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7,8-trimethoxy-1-(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

6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970448
(1S)-1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42056014
7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 112514013
1-tert-butyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373438
6,7-dimethoxy-8-nitro-1,2,3,4-tetrahydroisoquinolin-1-ol
CID 71428159
[(6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl] trifluoromethanesulfonate
CID 154049412
1,1-dibromo-5,6,7-trimethoxy-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 11486151
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene
CID 56959610
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211
8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 66875826
4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
CID 2752182

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 83970461) is 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1OC)C(C(F)(F)F)NCC2.
What is the InChIKey of 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FDDGFJOYIACDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-18-8-6-7-4-5-17-12(13(14,15)16)9(7)11(20-3)10(8)19-2/h6,12,17H,4-5H2,1-3H3.
What are the key properties of 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 291.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).