2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile

C17H11FN2S — CID 126539466

IUPAC2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)csc1Nc1ccccc1
InChIInChI=1S/C17H11FN2S/c18-16-9-5-4-8-13(16)15-11-21-17(14(15)10-19)20-12-6-2-1-3-7-12/h1-9,11,20H
InChIKeyHHNIKXGZVJBIBO-UHFFFAOYSA-N
MW294.35 g/mol
LogP5.17
Rot. Bonds3

About 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile

2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile (PubChem CID 126539466) has the molecular formula C17H11FN2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile
PubChem CID126539466
Molecular FormulaC17H11FN2S
Molecular Weight294.35 g/mol
Exact Mass294.06
IUPAC Name2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)csc1Nc1ccccc1
InChIInChI=1S/C17H11FN2S/c18-16-9-5-4-8-13(16)15-11-21-17(14(15)10-19)20-12-6-2-1-3-7-12/h1-9,11,20H
InChIKeyHHNIKXGZVJBIBO-UHFFFAOYSA-N
XLogP5.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 13398047
3-amino-5-anilino-1,2-thiazole-4-carbonitrile
CID 14171368
2-(N-ethyl-2-methylanilino)-4-(2-fluorophenyl)thiophene-3-carbonitrile
CID 126539632
4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile
CID 139814017
2-(2-nitroanilino)-4-phenylthiophene-3-carbonitrile
CID 126539633
13-anilino-17-(2-fluorophenyl)-2-oxo-12-thia-3,9,16-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),4,6,8,11(15),13,16-heptaene-14-carbonitrile
CID 132504205
5-anilinothiadiazole-4-carbonitrile
CID 14028172
4-anilino-3,6-difluoro-5-[(2-methylpropan-2-yl)oxy]benzene-1,2-dicarbonitrile
CID 139814110
2-(4-fluoroanilino)-1-benzothiophene-3-carbonitrile
CID 166635441
4-anilino-3,6-difluoro-5-(4-methoxyanilino)benzene-1,2-dicarbonitrile
CID 139814018
4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 71683757
2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
CID 46731752

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile (CID 126539466) is 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile is N#Cc1c(-c2ccccc2F)csc1Nc1ccccc1.
What is the InChIKey of 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile?
The InChIKey is HHNIKXGZVJBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2S/c18-16-9-5-4-8-13(16)15-11-21-17(14(15)10-19)20-12-6-2-1-3-7-12/h1-9,11,20H.
What are the key properties of 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile?
2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile has a molecular weight of 294.35 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 126539466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).