5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid

C8H6F3NO3S — CID 43414494

IUPAC5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)3-12-6(13)4-1-2-5(16-4)7(14)15/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKeyYFMHGFKXYNLFPT-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.74
Rot. Bonds3

About 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid

5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 43414494) has the molecular formula C8H6F3NO3S and a molecular weight of 253.20 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID43414494
Molecular FormulaC8H6F3NO3S
Molecular Weight253.20 g/mol
Exact Mass253.00
IUPAC Name5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)3-12-6(13)4-1-2-5(16-4)7(14)15/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKeyYFMHGFKXYNLFPT-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid (CID 43414494) is 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is YFMHGFKXYNLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3S/c9-8(10,11)3-12-6(13)4-1-2-5(16-4)7(14)15/h1-2H,3H2,(H,12,13)(H,14,15).
What are the key properties of 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid?
5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43414494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).