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

C12H14F3NO2 — CID 83970448

IUPAC6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C(F)(F)F)NCC2
InChIInChI=1S/C12H14F3NO2/c1-17-9-5-7-3-4-16-11(12(13,14)15)8(7)6-10(9)18-2/h5-6,11,16H,3-4H2,1-2H3
InChIKeyGOGWCPRJCSHXPU-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.45
Rot. Bonds2

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

6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970448) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970448
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C(F)(F)F)NCC2
InChIInChI=1S/C12H14F3NO2/c1-17-9-5-7-3-4-16-11(12(13,14)15)8(7)6-10(9)18-2/h5-6,11,16H,3-4H2,1-2H3
InChIKeyGOGWCPRJCSHXPU-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42056014
6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970461
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
7-propan-2-yl-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 176701985
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
6,7-dimethoxy-1-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
CID 106777713
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 83970448) is 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(C(F)(F)F)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GOGWCPRJCSHXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-17-9-5-7-3-4-16-11(12(13,14)15)8(7)6-10(9)18-2/h5-6,11,16H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 261.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).