1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline

C10H12FNO — CID 141168368

IUPAC1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESFCOC1NCCc2ccccc21
InChIInChI=1S/C10H12FNO/c11-7-13-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2
InChIKeyZCADJZQFVDJEMG-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.77
Rot. Bonds2

About 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline

1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 141168368) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID141168368
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESFCOC1NCCc2ccccc21
InChIInChI=1S/C10H12FNO/c11-7-13-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2
InChIKeyZCADJZQFVDJEMG-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline (CID 141168368) is 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline is FCOC1NCCc2ccccc21.
What is the InChIKey of 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZCADJZQFVDJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-7-13-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2.
What are the key properties of 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 181.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 141168368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).