2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol

C10H10F3NO3S — CID 50919274

IUPAC2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESO=S(=O)(N1CCc2cc(O)ccc2C1)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2
InChIKeyHADUTEDIBIZUBV-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.60
Rot. Bonds1

About 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol

2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 50919274) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID50919274
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESO=S(=O)(N1CCc2cc(O)ccc2C1)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2
InChIKeyHADUTEDIBIZUBV-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Isoquinolinol, 1,2,3,4-tetrahydro-2-methyl-
CID 26458
1,2,3,4-Tetrahydroisoquinolin-6-ol
CID 26698
2-Methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 12582381
2-(Trifluoroacetyl)-1,2,3,4-Tetrahydroisoquinolin-6-Ol
CID 18695694
2-(Trifluoroacetyl)-1,2,3,4-Tetrahydroisoquinolin-7-Ol
CID 50919273
2-(Phenylsulfonyl)-1,2,3,4-tetrahydro-6-isoquinolinol
CID 52937310
6-Hydroxy-1,2,3,4-tetrahydroisoquinolinium chloride
CID 45117
2-Chloro-2,2-difluoro-1-(6-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
CID 52937207
2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 71449931
1,2,3,4-Tetrahydroisoquinolin-6-ol hydrobromide
CID 13361799
1-(6-Hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
CID 13361808
2-(Methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 42609838

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol (CID 50919274) is 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol is O=S(=O)(N1CCc2cc(O)ccc2C1)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is HADUTEDIBIZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2.
What are the key properties of 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol?
2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 281.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 50919274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).