6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline

C13H10F3N — CID 170249314

IUPAC6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline
SMILESC=Cc1ccc2nc(C(F)(F)F)cc(C)c2c1
InChIInChI=1S/C13H10F3N/c1-3-9-4-5-11-10(7-9)8(2)6-12(17-11)13(14,15)16/h3-7H,1H2,2H3
InChIKeyVRXZXYTZASLLAP-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.21
Rot. Bonds1

About 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline

6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline (PubChem CID 170249314) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline
PubChem CID170249314
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline
SMILESC=Cc1ccc2nc(C(F)(F)F)cc(C)c2c1
InChIInChI=1S/C13H10F3N/c1-3-9-4-5-11-10(7-9)8(2)6-12(17-11)13(14,15)16/h3-7H,1H2,2H3
InChIKeyVRXZXYTZASLLAP-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline (CID 170249314) is 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline is C=Cc1ccc2nc(C(F)(F)F)cc(C)c2c1.
What is the InChIKey of 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is VRXZXYTZASLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c1-3-9-4-5-11-10(7-9)8(2)6-12(17-11)13(14,15)16/h3-7H,1H2,2H3.
What are the key properties of 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline?
6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 237.22 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 170249314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).