3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C7H7F3N2OS — CID 61094706

IUPAC3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)3-12-6(13)5-4(11)1-2-14-5/h1-2H,3,11H2,(H,12,13)
InChIKeyARSXFLQEKFJORQ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61094706) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61094706
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)3-12-6(13)5-4(11)1-2-14-5/h1-2H,3,11H2,(H,12,13)
InChIKeyARSXFLQEKFJORQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61094706) is 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is ARSXFLQEKFJORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c8-7(9,10)3-12-6(13)5-4(11)1-2-14-5/h1-2H,3,11H2,(H,12,13).
What are the key properties of 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61094706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).