6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride

C11H13ClF3NO2 — CID 122444720

IUPAC6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
SMILESCl.OC1CNCc2ccc(OCC(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO2.ClH/c12-11(13,14)6-17-8-2-1-7-4-15-5-10(16)9(7)3-8;/h1-3,10,15-16H,4-6H2;1H
InChIKeyLGBICJWIJSIWKC-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.19
Rot. Bonds2

About 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride

6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride (PubChem CID 122444720) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
PubChem CID122444720
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
SMILESCl.OC1CNCc2ccc(OCC(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO2.ClH/c12-11(13,14)6-17-8-2-1-7-4-15-5-10(16)9(7)3-8;/h1-3,10,15-16H,4-6H2;1H
InChIKeyLGBICJWIJSIWKC-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride (CID 122444720) is 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride is Cl.OC1CNCc2ccc(OCC(F)(F)F)cc21.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
The InChIKey is LGBICJWIJSIWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)6-17-8-2-1-7-4-15-5-10(16)9(7)3-8;/h1-3,10,15-16H,4-6H2;1H.
What are the key properties of 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride has a molecular weight of 283.68 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride is sourced from PubChem (CID 122444720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).