7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H10F3N — CID 10375551

IUPAC7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
InChIKeyNGQHLYGRTFVUEM-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.35
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10375551) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID10375551
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
InChIKeyNGQHLYGRTFVUEM-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 10375551) is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)c1ccc2c(c1)CNCC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NGQHLYGRTFVUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 201.19 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).