2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile

C12H9FN2S — CID 60987777

IUPAC2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H
InChIKeyUBGNBZINTHLQAE-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.56
Rot. Bonds3

About 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile

2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile (PubChem CID 60987777) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
PubChem CID60987777
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H
InChIKeyUBGNBZINTHLQAE-UHFFFAOYSA-N
XLogP3.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-(4-bromoanilino)-2-(4-fluorophenyl)acetonitrile
CID 54886157
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
2-(4-fluoroanilino)-2-thiophen-3-ylethanol
CID 61050355
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 61348317
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-(butylamino)-2-thiophen-3-ylacetonitrile
CID 84816606
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819
2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
CID 63969132
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile?
The IUPAC name of 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile (CID 60987777) is 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile.
What is the SMILES notation for 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile?
The canonical SMILES for 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile is N#CC(Nc1ccc(F)cc1)c1ccsc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile?
The InChIKey is UBGNBZINTHLQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H.
What are the key properties of 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile?
2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile has a molecular weight of 232.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile is sourced from PubChem (CID 60987777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).