ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile

C19H15F3N2O — CID 155713235

IUPACethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
SMILESCC.N#Cc1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2n1
InChIInChI=1S/C17H9F3N2O.C2H6/c18-17(19,20)11-4-7-13(8-5-11)23-16-3-1-2-15-14(16)9-6-12(10-21)22-15;1-2/h1-9H;1-2H3
InChIKeyVXEVASUYXODVTG-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.94
Rot. Bonds2

About ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile

ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile (PubChem CID 155713235) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile.

Molecular Properties

Compound Nameethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
PubChem CID155713235
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Nameethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
SMILESCC.N#Cc1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2n1
InChIInChI=1S/C17H9F3N2O.C2H6/c18-17(19,20)11-4-7-13(8-5-11)23-16-3-1-2-15-14(16)9-6-12(10-21)22-15;1-2/h1-9H;1-2H3
InChIKeyVXEVASUYXODVTG-UHFFFAOYSA-N
XLogP5.94
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile
CID 135374130
CID 145139279
CID 145139279
4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
CID 135373744
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
5-aminoquinoline-2-carbonitrile
CID 133061307
2-[5-[4-(2-methoxyethoxy)phenoxy]quinolin-2-yl]ethynyl-trimethyl-λ4-sulfane
CID 135182259
methyl 4-[2-(2-trimethylsilylethynyl)quinolin-5-yl]oxybenzoate
CID 140880344

Frequently Asked Questions

What is the IUPAC name of ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile?
The IUPAC name of ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile (CID 155713235) is ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile.
What is the SMILES notation for ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile?
The canonical SMILES for ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile is CC.N#Cc1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2n1.
What is the InChIKey of ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile?
The InChIKey is VXEVASUYXODVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O.C2H6/c18-17(19,20)11-4-7-13(8-5-11)23-16-3-1-2-15-14(16)9-6-12(10-21)22-15;1-2/h1-9H;1-2H3.
What are the key properties of ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile?
ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile has a molecular weight of 344.34 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile is sourced from PubChem (CID 155713235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).