2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol

C11H14FNO — CID 105449024

IUPAC2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
SMILESOCCC1NCCc2cc(F)ccc21
InChIInChI=1S/C11H14FNO/c12-9-1-2-10-8(7-9)3-5-13-11(10)4-6-14/h1-2,7,11,13-14H,3-6H2
InChIKeyZVTNYPSVEKQOAB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.39
Rot. Bonds2

About 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol

2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol (PubChem CID 105449024) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
PubChem CID105449024
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
SMILESOCCC1NCCc2cc(F)ccc21
InChIInChI=1S/C11H14FNO/c12-9-1-2-10-8(7-9)3-5-13-11(10)4-6-14/h1-2,7,11,13-14H,3-6H2
InChIKeyZVTNYPSVEKQOAB-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
CID 105479508
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83367596
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
4-chloro-2-[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 96962536
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105461963
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969
methyl 2-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105480341
3-[2-[(1S)-6-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 149291171
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol?
The IUPAC name of 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol (CID 105449024) is 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol is OCCC1NCCc2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol?
The InChIKey is ZVTNYPSVEKQOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-1-2-10-8(7-9)3-5-13-11(10)4-6-14/h1-2,7,11,13-14H,3-6H2.
What are the key properties of 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol?
2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol has a molecular weight of 195.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol is sourced from PubChem (CID 105449024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).