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

C8H9F3N2OS — CID 61101959

IUPAC3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C8H9F3N2OS/c1-13(4-8(9,10)11)7(14)6-5(12)2-3-15-6/h2-3H,4,12H2,1H3
InChIKeyMTYGOWDHNXHJPC-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.96
Rot. Bonds2

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

3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61101959) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61101959
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C8H9F3N2OS/c1-13(4-8(9,10)11)7(14)6-5(12)2-3-15-6/h2-3H,4,12H2,1H3
InChIKeyMTYGOWDHNXHJPC-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61101959) is 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CN(CC(F)(F)F)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is MTYGOWDHNXHJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-13(4-8(9,10)11)7(14)6-5(12)2-3-15-6/h2-3H,4,12H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 238.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61101959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).