2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane

C14H16F3N — CID 142222859

IUPAC2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
SMILESCC.Cc1cc(C)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C12H10F3N.C2H6/c1-7-6-8(2)16-11-9(7)4-3-5-10(11)12(13,14)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyYMLKNRASBJUXNQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.90
Rot. Bonds

About 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane

2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane (PubChem CID 142222859) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane.

Molecular Properties

Compound Name2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
PubChem CID142222859
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
SMILESCC.Cc1cc(C)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C12H10F3N.C2H6/c1-7-6-8(2)16-11-9(7)4-3-5-10(11)12(13,14)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyYMLKNRASBJUXNQ-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

[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
CID 82573650
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
CID 122693971
2,4-dimethyl-8-nitroquinoline
CID 608736
N-(2,6-dimethylphenyl)-2,4-dimethylquinolin-8-amine
CID 58409410
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
CID 91075369
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
[4-chloro-3-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl] trifluoromethanesulfonate
CID 87609515
N-hydroxy-2,4-dimethylquinoline-8-carboxamide
CID 82574392

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane?
The IUPAC name of 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane (CID 142222859) is 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane.
What is the SMILES notation for 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane?
The canonical SMILES for 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane is CC.Cc1cc(C)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane?
The InChIKey is YMLKNRASBJUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N.C2H6/c1-7-6-8(2)16-11-9(7)4-3-5-10(11)12(13,14)15;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane?
2,4-dimethyl-8-(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-8-(trifluoromethyl)quinoline;ethane is sourced from PubChem (CID 142222859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).