2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile

C13H9F3N2S — CID 12060740

IUPAC2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile
SMILESN#CC(Nc1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H9F3N2S/c14-13(15,16)9-4-1-2-5-10(9)18-11(8-17)12-6-3-7-19-12/h1-7,11,18H
InChIKeyWNJXCICBSJKTKU-UHFFFAOYSA-N
MW282.29 g/mol
LogP4.44
Rot. Bonds3

About 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile

2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile (PubChem CID 12060740) has the molecular formula C13H9F3N2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile.

Molecular Properties

Compound Name2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile
PubChem CID12060740
Molecular FormulaC13H9F3N2S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile
SMILESN#CC(Nc1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H9F3N2S/c14-13(15,16)9-4-1-2-5-10(9)18-11(8-17)12-6-3-7-19-12/h1-7,11,18H
InChIKeyWNJXCICBSJKTKU-UHFFFAOYSA-N
XLogP4.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile?
The IUPAC name of 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile (CID 12060740) is 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile.
What is the SMILES notation for 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile?
The canonical SMILES for 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile is N#CC(Nc1ccccc1C(F)(F)F)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile?
The InChIKey is WNJXCICBSJKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2S/c14-13(15,16)9-4-1-2-5-10(9)18-11(8-17)12-6-3-7-19-12/h1-7,11,18H.
What are the key properties of 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile?
2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile has a molecular weight of 282.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile is sourced from PubChem (CID 12060740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).