6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C11H10BrClF3NO — CID 132589531

IUPAC6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c(Cl)c2c1NC(C(F)(F)F)CC2
InChIInChI=1S/C11H10BrClF3NO/c1-18-7-4-6(12)9(13)5-2-3-8(11(14,15)16)17-10(5)7/h4,8,17H,2-3H2,1H3
InChIKeyWVIQDUSIDLSNIX-UHFFFAOYSA-N
MW344.56 g/mol
LogP4.40
Rot. Bonds1

About 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132589531) has the molecular formula C11H10BrClF3NO and a molecular weight of 344.56 g/mol. Its IUPAC name is 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132589531
Molecular FormulaC11H10BrClF3NO
Molecular Weight344.56 g/mol
Exact Mass342.96
IUPAC Name6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c(Cl)c2c1NC(C(F)(F)F)CC2
InChIInChI=1S/C11H10BrClF3NO/c1-18-7-4-6(12)9(13)5-2-3-8(11(14,15)16)17-10(5)7/h4,8,17H,2-3H2,1H3
InChIKeyWVIQDUSIDLSNIX-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 132589531) is 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is COc1cc(Br)c(Cl)c2c1NC(C(F)(F)F)CC2.
What is the InChIKey of 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WVIQDUSIDLSNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO/c1-18-7-4-6(12)9(13)5-2-3-8(11(14,15)16)17-10(5)7/h4,8,17H,2-3H2,1H3.
What are the key properties of 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 344.56 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).