2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile

C8H7F3N2S — CID 60998404

IUPAC2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESN#CC(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H7F3N2S/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h1-2,4,7,13H,5H2
InChIKeyJHTBBSKOGQUJCC-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.46
Rot. Bonds3

About 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile

2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile (PubChem CID 60998404) has the molecular formula C8H7F3N2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile.

Molecular Properties

Compound Name2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile
PubChem CID60998404
Molecular FormulaC8H7F3N2S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESN#CC(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H7F3N2S/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h1-2,4,7,13H,5H2
InChIKeyJHTBBSKOGQUJCC-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile?
The IUPAC name of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile (CID 60998404) is 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile.
What is the SMILES notation for 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile?
The canonical SMILES for 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile is N#CC(NCC(F)(F)F)c1ccsc1.
What is the InChIKey of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile?
The InChIKey is JHTBBSKOGQUJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2S/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h1-2,4,7,13H,5H2.
What are the key properties of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile?
2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile has a molecular weight of 220.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile is sourced from PubChem (CID 60998404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).