2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile

C13H11FN2S — CID 43399529

IUPAC2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
SMILESCC(Nc1cccc(F)c1C#N)c1cccs1
InChIInChI=1S/C13H11FN2S/c1-9(13-6-3-7-17-13)16-12-5-2-4-11(14)10(12)8-15/h2-7,9,16H,1H3
InChIKeyVVJSJAAAIIPPSZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.93
Rot. Bonds3

About 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile

2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile (PubChem CID 43399529) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
PubChem CID43399529
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
SMILESCC(Nc1cccc(F)c1C#N)c1cccs1
InChIInChI=1S/C13H11FN2S/c1-9(13-6-3-7-17-13)16-12-5-2-4-11(14)10(12)8-15/h2-7,9,16H,1H3
InChIKeyVVJSJAAAIIPPSZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 55023917
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
CID 43580283
2-[1-(2-chlorophenyl)ethylamino]-6-fluorobenzonitrile
CID 43399542
2-fluoro-6-[1-(2-methoxyphenyl)ethylamino]benzonitrile
CID 43398727
2-fluoro-6-(4-methylpentan-2-ylamino)benzonitrile
CID 43580259
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 43580253
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 112697218
2-[(S)-cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
CID 6933760

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile (CID 43399529) is 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile is CC(Nc1cccc(F)c1C#N)c1cccs1.
What is the InChIKey of 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile?
The InChIKey is VVJSJAAAIIPPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c1-9(13-6-3-7-17-13)16-12-5-2-4-11(14)10(12)8-15/h2-7,9,16H,1H3.
What are the key properties of 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile?
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile is sourced from PubChem (CID 43399529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).