4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile

C17H9F3N2O — CID 135373744

IUPAC4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
SMILESN#Cc1cccc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C17H9F3N2O/c18-17(19,20)12-4-6-13(7-5-12)23-15-8-9-22-16-11(10-21)2-1-3-14(15)16/h1-9H
InChIKeyRGVDIOGCDYJYHL-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.92
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile

4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile (PubChem CID 135373744) has the molecular formula C17H9F3N2O and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
PubChem CID135373744
Molecular FormulaC17H9F3N2O
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
SMILESN#Cc1cccc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C17H9F3N2O/c18-17(19,20)12-4-6-13(7-5-12)23-15-8-9-22-16-11(10-21)2-1-3-14(15)16/h1-9H
InChIKeyRGVDIOGCDYJYHL-UHFFFAOYSA-N
XLogP4.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile (CID 135373744) is 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile is N#Cc1cccc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile?
The InChIKey is RGVDIOGCDYJYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O/c18-17(19,20)12-4-6-13(7-5-12)23-15-8-9-22-16-11(10-21)2-1-3-14(15)16/h1-9H.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile?
4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile has a molecular weight of 314.27 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile is sourced from PubChem (CID 135373744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).