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

C10H10F3NO — CID 141005300

IUPAC1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)OC1NCCc2ccccc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-9-8-4-2-1-3-7(8)5-6-14-9/h1-4,9,14H,5-6H2
InChIKeyQOSUVYHTYRBJPE-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.37
Rot. Bonds1

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

1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 141005300) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID141005300
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)OC1NCCc2ccccc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-9-8-4-2-1-3-7(8)5-6-14-9/h1-4,9,14H,5-6H2
InChIKeyQOSUVYHTYRBJPE-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline (CID 141005300) is 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)OC1NCCc2ccccc21.
What is the InChIKey of 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QOSUVYHTYRBJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)15-9-8-4-2-1-3-7(8)5-6-14-9/h1-4,9,14H,5-6H2.
What are the key properties of 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline?
1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 141005300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).