7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline

C18H12F3NO — CID 155344351

IUPAC7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESC=Cc1cc(Oc2cccc(C(F)(F)F)c2)c2cccnc2c1
InChIInChI=1S/C18H12F3NO/c1-2-12-9-16-15(7-4-8-22-16)17(10-12)23-14-6-3-5-13(11-14)18(19,20)21/h2-11H,1H2
InChIKeyLLYUTLDYHQATOT-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.69
Rot. Bonds3

About 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline

7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline (PubChem CID 155344351) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline
PubChem CID155344351
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESC=Cc1cc(Oc2cccc(C(F)(F)F)c2)c2cccnc2c1
InChIInChI=1S/C18H12F3NO/c1-2-12-9-16-15(7-4-8-22-16)17(10-12)23-14-6-3-5-13(11-14)18(19,20)21/h2-11H,1H2
InChIKeyLLYUTLDYHQATOT-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline (CID 155344351) is 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline is C=Cc1cc(Oc2cccc(C(F)(F)F)c2)c2cccnc2c1.
What is the InChIKey of 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is LLYUTLDYHQATOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c1-2-12-9-16-15(7-4-8-22-16)17(10-12)23-14-6-3-5-13(11-14)18(19,20)21/h2-11H,1H2.
What are the key properties of 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline?
7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 315.29 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 155344351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).