4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline

C17H11BrF3N — CID 68876851

IUPAC4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Br)c1
InChIInChI=1S/C17H11BrF3N/c1-10-9-22-16-13(6-3-7-14(16)17(19,20)21)15(10)11-4-2-5-12(18)8-11/h2-9H,1H3
InChIKeyTTWJHWYKBCOARM-UHFFFAOYSA-N
MW366.18 g/mol
LogP5.99
Rot. Bonds1

About 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline

4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline (PubChem CID 68876851) has the molecular formula C17H11BrF3N and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline
PubChem CID68876851
Molecular FormulaC17H11BrF3N
Molecular Weight366.18 g/mol
Exact Mass365.00
IUPAC Name4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Br)c1
InChIInChI=1S/C17H11BrF3N/c1-10-9-22-16-13(6-3-7-14(16)17(19,20)21)15(10)11-4-2-5-12(18)8-11/h2-9H,1H3
InChIKeyTTWJHWYKBCOARM-UHFFFAOYSA-N
XLogP5.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.18
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline (CID 68876851) is 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline is Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is TTWJHWYKBCOARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3N/c1-10-9-22-16-13(6-3-7-14(16)17(19,20)21)15(10)11-4-2-5-12(18)8-11/h2-9H,1H3.
What are the key properties of 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline?
4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 366.18 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 68876851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).