3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile

C7H6F3N3S — CID 103425869

IUPAC3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC(F)(F)F)cc1N
InChIInChI=1S/C7H6F3N3S/c8-7(9,10)3-13-6-1-4(12)5(2-11)14-6/h1,13H,3,12H2
InChIKeyJJVQVLSWIZLERG-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.18
Rot. Bonds2

About 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile

3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile (PubChem CID 103425869) has the molecular formula C7H6F3N3S and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile
PubChem CID103425869
Molecular FormulaC7H6F3N3S
Molecular Weight221.21 g/mol
Exact Mass221.02
IUPAC Name3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC(F)(F)F)cc1N
InChIInChI=1S/C7H6F3N3S/c8-7(9,10)3-13-6-1-4(12)5(2-11)14-6/h1,13H,3,12H2
InChIKeyJJVQVLSWIZLERG-UHFFFAOYSA-N
XLogP2.18
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-Amino-1,1,1-trifluoropropan-2-yl)amino]thiophene-2-carbonitrile
CID 178763364
3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carbonitrile
CID 103421860
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422861
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422883
3-Amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422905
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
3-Amino-5-(2,2-difluoroethylamino)thiophene-2,4-dicarbonitrile
CID 103505691
3-Amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 103505785
3-Amino-5-(2,2-difluoroethylamino)thiophene-2-carbonitrile
CID 103505788
3-Amino-5-(4,4,4-trifluorobutylamino)thiophene-2,4-dicarbonitrile
CID 103505959
3-Amino-4-methylsulfanyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carbonitrile
CID 103506007

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile (CID 103425869) is 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile is N#Cc1sc(NCC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile?
The InChIKey is JJVQVLSWIZLERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3S/c8-7(9,10)3-13-6-1-4(12)5(2-11)14-6/h1,13H,3,12H2.
What are the key properties of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile?
3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile has a molecular weight of 221.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103425869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).