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

C8H6F2N4S — CID 103505691

IUPAC3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C8H6F2N4S/c9-6(10)3-14-8-4(1-11)7(13)5(2-12)15-8/h6,14H,3,13H2
InChIKeyDJVIKRQOATUJNZ-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.75
Rot. Bonds3

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

3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile (PubChem CID 103505691) has the molecular formula C8H6F2N4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile
PubChem CID103505691
Molecular FormulaC8H6F2N4S
Molecular Weight228.23 g/mol
Exact Mass228.03
IUPAC Name3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C8H6F2N4S/c9-6(10)3-14-8-4(1-11)7(13)5(2-12)15-8/h6,14H,3,13H2
InChIKeyDJVIKRQOATUJNZ-UHFFFAOYSA-N
XLogP1.75
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419822
3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103417617
3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421855
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
CID 103422817
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422832
3-Amino-4-methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422868
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422870
3-Amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-Amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile
CID 103424993
3-Amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile
CID 103425701
3-Amino-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile
CID 103425769
3-Amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile
CID 103425787

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile (CID 103505691) is 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile is N#Cc1sc(NCC(F)F)c(C#N)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile?
The InChIKey is DJVIKRQOATUJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4S/c9-6(10)3-14-8-4(1-11)7(13)5(2-12)15-8/h6,14H,3,13H2.
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile?
3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile has a molecular weight of 228.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103505691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).