5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile

C12H5F2N3S — CID 54771192

IUPAC5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N)c(C#N)c1-c1ccc(F)cc1F
InChIInChI=1S/C12H5F2N3S/c13-6-1-2-7(9(14)3-6)11-8(4-15)12(17)18-10(11)5-16/h1-3H,17H2
InChIKeyNHTWLTIANGTIQC-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.02
Rot. Bonds1

About 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile

5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile (PubChem CID 54771192) has the molecular formula C12H5F2N3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile
PubChem CID54771192
Molecular FormulaC12H5F2N3S
Molecular Weight261.26 g/mol
Exact Mass261.02
IUPAC Name5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N)c(C#N)c1-c1ccc(F)cc1F
InChIInChI=1S/C12H5F2N3S/c13-6-1-2-7(9(14)3-6)11-8(4-15)12(17)18-10(11)5-16/h1-3H,17H2
InChIKeyNHTWLTIANGTIQC-UHFFFAOYSA-N
XLogP3.02
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile?
The IUPAC name of 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile (CID 54771192) is 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile is N#Cc1sc(N)c(C#N)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile?
The InChIKey is NHTWLTIANGTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F2N3S/c13-6-1-2-7(9(14)3-6)11-8(4-15)12(17)18-10(11)5-16/h1-3H,17H2.
What are the key properties of 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile?
5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile has a molecular weight of 261.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 54771192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).