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

C14H16F3N — CID 145015225

IUPAC2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
SMILESCC.Cc1cc(C)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H10F3N.C2H6/c1-7-5-8(2)16-11-4-3-9(6-10(7)11)12(13,14)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyDSVGJRLRJRXEIX-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.90
Rot. Bonds

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

2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane (PubChem CID 145015225) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane.

Molecular Properties

Compound Name2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
PubChem CID145015225
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
SMILESCC.Cc1cc(C)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H10F3N.C2H6/c1-7-5-8(2)16-11-4-3-9(6-10(7)11)12(13,14)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyDSVGJRLRJRXEIX-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
CID 82574503
2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
CID 50877449
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CID 155541385
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
CID 125452574
3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
CID 162414555
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
2,4,6,7-tetramethylquinoline
CID 13148811
N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477012

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane?
The IUPAC name of 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane (CID 145015225) is 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane.
What is the SMILES notation for 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane?
The canonical SMILES for 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane is CC.Cc1cc(C)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane?
The InChIKey is DSVGJRLRJRXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N.C2H6/c1-7-5-8(2)16-11-4-3-9(6-10(7)11)12(13,14)15;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane?
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane has a molecular weight of 255.28 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane is sourced from PubChem (CID 145015225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).