2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile

C17H9F3N2O — CID 135374130

IUPAC2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2ccc(C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C17H9F3N2O/c18-17(19,20)12-5-7-13(8-6-12)23-16-9-11(10-21)14-3-1-2-4-15(14)22-16/h1-9H
InChIKeyNQYZCDBSOYAFHS-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.92
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile

2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile (PubChem CID 135374130) has the molecular formula C17H9F3N2O and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile
PubChem CID135374130
Molecular FormulaC17H9F3N2O
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2ccc(C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C17H9F3N2O/c18-17(19,20)12-5-7-13(8-6-12)23-16-9-11(10-21)14-3-1-2-4-15(14)22-16/h1-9H
InChIKeyNQYZCDBSOYAFHS-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 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile (CID 135374130) is 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile is N#Cc1cc(Oc2ccc(C(F)(F)F)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile?
The InChIKey is NQYZCDBSOYAFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O/c18-17(19,20)12-5-7-13(8-6-12)23-16-9-11(10-21)14-3-1-2-4-15(14)22-16/h1-9H.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile?
2-[4-(trifluoromethyl)phenoxy]quinoline-4-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 2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile is sourced from PubChem (CID 135374130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).