2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C12H14F3N — CID 154729744

IUPAC2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C(F)(F)F)cc2c1NC(C)CC2
InChIInChI=1S/C12H14F3N/c1-7-5-10(12(13,14)15)6-9-4-3-8(2)16-11(7)9/h5-6,8,16H,3-4H2,1-2H3
InChIKeyKQNXOMHZRHCZEY-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.76
Rot. Bonds

About 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 154729744) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID154729744
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C(F)(F)F)cc2c1NC(C)CC2
InChIInChI=1S/C12H14F3N/c1-7-5-10(12(13,14)15)6-9-4-3-8(2)16-11(7)9/h5-6,8,16H,3-4H2,1-2H3
InChIKeyKQNXOMHZRHCZEY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 154729744) is 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is Cc1cc(C(F)(F)F)cc2c1NC(C)CC2.
What is the InChIKey of 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KQNXOMHZRHCZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-7-5-10(12(13,14)15)6-9-4-3-8(2)16-11(7)9/h5-6,8,16H,3-4H2,1-2H3.
What are the key properties of 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 229.24 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 154729744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).