8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H9BrF3N — CID 130040965

IUPAC8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)C1NCCc2cccc(Br)c21
InChIInChI=1S/C10H9BrF3N/c11-7-3-1-2-6-4-5-15-9(8(6)7)10(12,13)14/h1-3,9,15H,4-5H2
InChIKeyKVPPEJAMKZAQCB-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.20
Rot. Bonds

About 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 130040965) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID130040965
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)C1NCCc2cccc(Br)c21
InChIInChI=1S/C10H9BrF3N/c11-7-3-1-2-6-4-5-15-9(8(6)7)10(12,13)14/h1-3,9,15H,4-5H2
InChIKeyKVPPEJAMKZAQCB-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 130040965) is 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)C1NCCc2cccc(Br)c21.
What is the InChIKey of 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KVPPEJAMKZAQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-7-3-1-2-6-4-5-15-9(8(6)7)10(12,13)14/h1-3,9,15H,4-5H2.
What are the key properties of 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 280.09 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 130040965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).