8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline

C12H8BrClF3N — CID 82766418

IUPAC8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2c(Br)ccc(C)c2c1Cl
InChIInChI=1S/C12H8BrClF3N/c1-5-3-4-7(13)10-8(5)9(14)6(2)11(18-10)12(15,16)17/h3-4H,1-2H3
InChIKeyGINVNHWCIHYQGD-UHFFFAOYSA-N
MW338.55 g/mol
LogP5.29
Rot. Bonds

About 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline

8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline (PubChem CID 82766418) has the molecular formula C12H8BrClF3N and a molecular weight of 338.55 g/mol. Its IUPAC name is 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
PubChem CID82766418
Molecular FormulaC12H8BrClF3N
Molecular Weight338.55 g/mol
Exact Mass336.95
IUPAC Name8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2c(Br)ccc(C)c2c1Cl
InChIInChI=1S/C12H8BrClF3N/c1-5-3-4-7(13)10-8(5)9(14)6(2)11(18-10)12(15,16)17/h3-4H,1-2H3
InChIKeyGINVNHWCIHYQGD-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline (CID 82766418) is 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline is Cc1c(C(F)(F)F)nc2c(Br)ccc(C)c2c1Cl.
What is the InChIKey of 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline?
The InChIKey is GINVNHWCIHYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3N/c1-5-3-4-7(13)10-8(5)9(14)6(2)11(18-10)12(15,16)17/h3-4H,1-2H3.
What are the key properties of 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline?
8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline has a molecular weight of 338.55 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 82766418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).