2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline

C17H12F3N — CID 67134010

IUPAC2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
SMILESCc1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C17H12F3N/c1-11-8-9-12-4-3-7-15(16(12)21-11)13-5-2-6-14(10-13)17(18,19)20/h2-10H,1H3
InChIKeyHWPUUXMDFWSFKV-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.23
Rot. Bonds1

About 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline

2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 67134010) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID67134010
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
SMILESCc1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C17H12F3N/c1-11-8-9-12-4-3-7-15(16(12)21-11)13-5-2-6-14(10-13)17(18,19)20/h2-10H,1H3
InChIKeyHWPUUXMDFWSFKV-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline (CID 67134010) is 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline is Cc1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is HWPUUXMDFWSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c1-11-8-9-12-4-3-7-15(16(12)21-11)13-5-2-6-14(10-13)17(18,19)20/h2-10H,1H3.
What are the key properties of 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline?
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 287.28 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 67134010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).