8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

C10H12FNO — CID 84657900

IUPAC8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1F)CNCC2
InChIInChI=1S/C10H12FNO/c1-13-9-3-2-7-4-5-12-6-8(7)10(9)11/h2-3,12H,4-6H2,1H3
InChIKeyVSKNJUBUVUWBJY-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.48
Rot. Bonds1

About 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84657900) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID84657900
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1F)CNCC2
InChIInChI=1S/C10H12FNO/c1-13-9-3-2-7-4-5-12-6-8(7)10(9)11/h2-3,12H,4-6H2,1H3
InChIKeyVSKNJUBUVUWBJY-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 84657900) is 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1F)CNCC2.
What is the InChIKey of 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VSKNJUBUVUWBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-13-9-3-2-7-4-5-12-6-8(7)10(9)11/h2-3,12H,4-6H2,1H3.
What are the key properties of 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 181.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84657900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).