6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol

C9H10FNO — CID 148751166

IUPAC6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol
SMILESOC1NCCc2cc(F)ccc21
InChIInChI=1S/C9H10FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5,9,11-12H,3-4H2
InChIKeyOESKXECZMDZSTP-UHFFFAOYSA-N
MW167.18 g/mol
LogP0.96
Rot. Bonds

About 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol

6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol (PubChem CID 148751166) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol.

Molecular Properties

Compound Name6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol
PubChem CID148751166
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol
SMILESOC1NCCc2cc(F)ccc21
InChIInChI=1S/C9H10FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5,9,11-12H,3-4H2
InChIKeyOESKXECZMDZSTP-UHFFFAOYSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol?
The IUPAC name of 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol (CID 148751166) is 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol.
What is the SMILES notation for 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol?
The canonical SMILES for 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol is OC1NCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol?
The InChIKey is OESKXECZMDZSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5,9,11-12H,3-4H2.
What are the key properties of 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol?
6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol has a molecular weight of 167.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-ol is sourced from PubChem (CID 148751166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).