4,6-dimethyl-2-(trifluoromethyl)quinoline

C12H10F3N — CID 70809225

IUPAC4,6-dimethyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2nc(C(F)(F)F)cc(C)c2c1
InChIInChI=1S/C12H10F3N/c1-7-3-4-10-9(5-7)8(2)6-11(16-10)12(13,14)15/h3-6H,1-2H3
InChIKeyHKAVLVQKVZQVNN-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.87
Rot. Bonds

About 4,6-dimethyl-2-(trifluoromethyl)quinoline

4,6-dimethyl-2-(trifluoromethyl)quinoline (PubChem CID 70809225) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 4,6-dimethyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4,6-dimethyl-2-(trifluoromethyl)quinoline
PubChem CID70809225
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name4,6-dimethyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2nc(C(F)(F)F)cc(C)c2c1
InChIInChI=1S/C12H10F3N/c1-7-3-4-10-9(5-7)8(2)6-11(16-10)12(13,14)15/h3-6H,1-2H3
InChIKeyHKAVLVQKVZQVNN-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)quinoline (CID 70809225) is 4,6-dimethyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4,6-dimethyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4,6-dimethyl-2-(trifluoromethyl)quinoline is Cc1ccc2nc(C(F)(F)F)cc(C)c2c1.
What is the InChIKey of 4,6-dimethyl-2-(trifluoromethyl)quinoline?
The InChIKey is HKAVLVQKVZQVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c1-7-3-4-10-9(5-7)8(2)6-11(16-10)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 4,6-dimethyl-2-(trifluoromethyl)quinoline?
4,6-dimethyl-2-(trifluoromethyl)quinoline has a molecular weight of 225.21 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 70809225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).