4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline

C12H9ClF3N — CID 43668724

IUPAC4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H9ClF3N/c1-6-3-4-7(2)11-10(6)8(13)5-9(17-11)12(14,15)16/h3-5H,1-2H3
InChIKeySYGLXPYNUJXSHR-UHFFFAOYSA-N
MW259.66 g/mol
LogP4.52
Rot. Bonds

About 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline

4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline (PubChem CID 43668724) has the molecular formula C12H9ClF3N and a molecular weight of 259.66 g/mol. Its IUPAC name is 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
PubChem CID43668724
Molecular FormulaC12H9ClF3N
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H9ClF3N/c1-6-3-4-7(2)11-10(6)8(13)5-9(17-11)12(14,15)16/h3-5H,1-2H3
InChIKeySYGLXPYNUJXSHR-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
4,5-dichloro-8-methyl-2-(trichloromethyl)quinoline
CID 23313791
4-butoxy-5-chloro-8-methyl-2-(trifluoromethyl)quinoline
CID 70811916
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250423
5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 113445976
2,4-dichloro-8-fluoro-5-methylquinoline
CID 121399116
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728198
2-tert-butyl-5-chloro-8-methylquinolin-4-amine
CID 62202543
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 55230313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline (CID 43668724) is 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline is Cc1ccc(C)c2c(Cl)cc(C(F)(F)F)nc12.
What is the InChIKey of 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline?
The InChIKey is SYGLXPYNUJXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N/c1-6-3-4-7(2)11-10(6)8(13)5-9(17-11)12(14,15)16/h3-5H,1-2H3.
What are the key properties of 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline?
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline has a molecular weight of 259.66 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 43668724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).