2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C11H10F3NO2 — CID 50919273

IUPAC2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(N1CCc2ccc(O)cc2C1)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2
InChIKeyOZASZYYBDFCSHO-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.84
Rot. Bonds

About 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 50919273) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID50919273
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(N1CCc2ccc(O)cc2C1)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2
InChIKeyOZASZYYBDFCSHO-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 50919273) is 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is O=C(N1CCc2ccc(O)cc2C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is OZASZYYBDFCSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2.
What are the key properties of 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 245.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 50919273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).