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

C9H10FNO — CID 118681291

IUPAC8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1cc(F)c2c(c1)CCNC2
InChIInChI=1S/C9H10FNO/c10-9-4-7(12)3-6-1-2-11-5-8(6)9/h3-4,11-12H,1-2,5H2
InChIKeyCRGGZFWRMJSCDI-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.18
Rot. Bonds

About 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol

8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 118681291) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID118681291
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1cc(F)c2c(c1)CCNC2
InChIInChI=1S/C9H10FNO/c10-9-4-7(12)3-6-1-2-11-5-8(6)9/h3-4,11-12H,1-2,5H2
InChIKeyCRGGZFWRMJSCDI-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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 118681291) is 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol is Oc1cc(F)c2c(c1)CCNC2.
What is the InChIKey of 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is CRGGZFWRMJSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-9-4-7(12)3-6-1-2-11-5-8(6)9/h3-4,11-12H,1-2,5H2.
What are the key properties of 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol?
8-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 8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 118681291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).