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

C9H10FNO — CID 84652626

IUPAC5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1F)CCNC2
InChIInChI=1S/C9H10FNO/c10-9-7-3-4-11-5-6(7)1-2-8(9)12/h1-2,11-12H,3-5H2
InChIKeyVMADJVSFGPLQRV-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.18
Rot. Bonds

About 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol

5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 84652626) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID84652626
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1F)CCNC2
InChIInChI=1S/C9H10FNO/c10-9-7-3-4-11-5-6(7)1-2-8(9)12/h1-2,11-12H,3-5H2
InChIKeyVMADJVSFGPLQRV-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 84652626) is 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol is Oc1ccc2c(c1F)CCNC2.
What is the InChIKey of 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is VMADJVSFGPLQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-9-7-3-4-11-5-6(7)1-2-8(9)12/h1-2,11-12H,3-5H2.
What are the key properties of 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 167.18 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 84652626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).