2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline

C11H12F3N — CID 13327727

IUPAC2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc2c(n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C11H12F3N/c1-7-2-3-8-6-9(11(12,13)14)4-5-10(8)15-7/h2-3,9H,4-6H2,1H3
InChIKeyOBHGYPMEOWITDH-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.06
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline

2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 13327727) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
PubChem CID13327727
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc2c(n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C11H12F3N/c1-7-2-3-8-6-9(11(12,13)14)4-5-10(8)15-7/h2-3,9H,4-6H2,1H3
InChIKeyOBHGYPMEOWITDH-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline (CID 13327727) is 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline is Cc1ccc2c(n1)CCC(C(F)(F)F)C2.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is OBHGYPMEOWITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-7-2-3-8-6-9(11(12,13)14)4-5-10(8)15-7/h2-3,9H,4-6H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 215.22 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 13327727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).