2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol

C11H12F3NO — CID 58629591

IUPAC2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol
SMILESOC(c1ccc2c(c1)CNCC2)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(16)8-2-1-7-3-4-15-6-9(7)5-8/h1-2,5,10,15-16H,3-4,6H2
InChIKeyLEBDTJLDKOSYNJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.93
Rot. Bonds1

About 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol

2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol (PubChem CID 58629591) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol
PubChem CID58629591
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol
SMILESOC(c1ccc2c(c1)CNCC2)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(16)8-2-1-7-3-4-15-6-9(7)5-8/h1-2,5,10,15-16H,3-4,6H2
InChIKeyLEBDTJLDKOSYNJ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
CID 91091154
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
1,3-bis(3,3-difluoroazetidin-1-yl)-1,3-bis(1,2,3,4-tetrahydroisoquinolin-7-yl)propan-2-one
CID 169082492
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
CID 135337281
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 170791399
1,2,3,4-tetrahydroisoquinoline-7-thiol;hydrochloride
CID 23336523
2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464418
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66898299
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433
1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoroacetic acid
CID 67161114

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol (CID 58629591) is 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol is OC(c1ccc2c(c1)CNCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol?
The InChIKey is LEBDTJLDKOSYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)10(16)8-2-1-7-3-4-15-6-9(7)5-8/h1-2,5,10,15-16H,3-4,6H2.
What are the key properties of 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol?
2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol has a molecular weight of 231.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol is sourced from PubChem (CID 58629591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).