2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile

C13H11FN2S — CID 61348317

IUPAC2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile
SMILESCc1ccsc1C(C#N)Nc1ccc(F)cc1
InChIInChI=1S/C13H11FN2S/c1-9-6-7-17-13(9)12(8-15)16-11-4-2-10(14)3-5-11/h2-7,12,16H,1H3
InChIKeyWSFVJGGTSUUANH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile

2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile (PubChem CID 61348317) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile
PubChem CID61348317
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile
SMILESCc1ccsc1C(C#N)Nc1ccc(F)cc1
InChIInChI=1S/C13H11FN2S/c1-9-6-7-17-13(9)12(8-15)16-11-4-2-10(14)3-5-11/h2-7,12,16H,1H3
InChIKeyWSFVJGGTSUUANH-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 79055379
2-(3-bromothiophen-2-yl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 113298137
2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
CID 60987777
2-(3-bromothiophen-2-yl)-2-(3-fluoroanilino)acetonitrile
CID 115380533
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 61346177
2-(3-methylthiophen-2-yl)propanenitrile
CID 63992078
2-(4-bromoanilino)-2-(4-fluorophenyl)acetonitrile
CID 54886157
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
2-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]propanenitrile
CID 63991844
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993026

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile (CID 61348317) is 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile is Cc1ccsc1C(C#N)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile?
The InChIKey is WSFVJGGTSUUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c1-9-6-7-17-13(9)12(8-15)16-11-4-2-10(14)3-5-11/h2-7,12,16H,1H3.
What are the key properties of 2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile?
2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.87, 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-(3-methylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 61348317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).