[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol

C10H12FNO — CID 96993138

IUPAC[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SMILESOC[C@H]1NCCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO/c11-8-1-2-9-7(5-8)3-4-12-10(9)6-13/h1-2,5,10,12-13H,3-4,6H2/t10-/m1/s1
InChIKeyJCXJUFWZUOLDBF-SNVBAGLBSA-N
MW181.21 g/mol
LogP1.00
Rot. Bonds1

About [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol

[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (PubChem CID 96993138) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
PubChem CID96993138
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SMILESOC[C@H]1NCCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO/c11-8-1-2-9-7(5-8)3-4-12-10(9)6-13/h1-2,5,10,12-13H,3-4,6H2/t10-/m1/s1
InChIKeyJCXJUFWZUOLDBF-SNVBAGLBSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
CID 105449024
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
CID 105479508
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 67158558
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83367596
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
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
1-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 83365715
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

Frequently Asked Questions

What is the IUPAC name of [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The IUPAC name of [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (CID 96993138) is [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol.
What is the SMILES notation for [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The canonical SMILES for [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol is OC[C@H]1NCCc2cc(F)ccc21.
What is the InChIKey of [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The InChIKey is JCXJUFWZUOLDBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-1-2-9-7(5-8)3-4-12-10(9)6-13/h1-2,5,10,12-13H,3-4,6H2/t10-/m1/s1.
What are the key properties of [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol has a molecular weight of 181.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol is sourced from PubChem (CID 96993138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).