7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H9ClF3N — CID 21393829

IUPAC7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1c(Cl)ccc2c1CNCC2
InChIInChI=1S/C10H9ClF3N/c11-8-2-1-6-3-4-15-5-7(6)9(8)10(12,13)14/h1-2,15H,3-5H2
InChIKeyLYSKZRBILYSRHG-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.00
Rot. Bonds

About 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 21393829) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID21393829
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1c(Cl)ccc2c1CNCC2
InChIInChI=1S/C10H9ClF3N/c11-8-2-1-6-3-4-15-5-7(6)9(8)10(12,13)14/h1-2,15H,3-5H2
InChIKeyLYSKZRBILYSRHG-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 21393829) is 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)c1c(Cl)ccc2c1CNCC2.
What is the InChIKey of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LYSKZRBILYSRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-8-2-1-6-3-4-15-5-7(6)9(8)10(12,13)14/h1-2,15H,3-5H2.
What are the key properties of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 235.64 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 21393829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).