2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile

C15H9FN2S — CID 166635441

IUPAC2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)sc2ccccc12
InChIInChI=1S/C15H9FN2S/c16-10-5-7-11(8-6-10)18-15-13(9-17)12-3-1-2-4-14(12)19-15/h1-8,18H
InChIKeyAWQODVITAOTRCI-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.66
Rot. Bonds2

About 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile

2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile (PubChem CID 166635441) has the molecular formula C15H9FN2S and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile
PubChem CID166635441
Molecular FormulaC15H9FN2S
Molecular Weight268.32 g/mol
Exact Mass268.05
IUPAC Name2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)sc2ccccc12
InChIInChI=1S/C15H9FN2S/c16-10-5-7-11(8-6-10)18-15-13(9-17)12-3-1-2-4-14(12)19-15/h1-8,18H
InChIKeyAWQODVITAOTRCI-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile (CID 166635441) is 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile is N#Cc1c(Nc2ccc(F)cc2)sc2ccccc12.
What is the InChIKey of 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile?
The InChIKey is AWQODVITAOTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S/c16-10-5-7-11(8-6-10)18-15-13(9-17)12-3-1-2-4-14(12)19-15/h1-8,18H.
What are the key properties of 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile?
2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 166635441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).