5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid

C10H10F3NO3S — CID 136556342

IUPAC5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid
SMILESCC(CC(=O)Nc1cc(C(=O)O)cs1)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-5(10(11,12)13)2-7(15)14-8-3-6(4-18-8)9(16)17/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyDNFLXYZWPMPPQA-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.97
Rot. Bonds4

About 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid

5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid (PubChem CID 136556342) has the molecular formula C10H10F3NO3S and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid
PubChem CID136556342
Molecular FormulaC10H10F3NO3S
Molecular Weight281.26 g/mol
Exact Mass281.03
IUPAC Name5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid
SMILESCC(CC(=O)Nc1cc(C(=O)O)cs1)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-5(10(11,12)13)2-7(15)14-8-3-6(4-18-8)9(16)17/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyDNFLXYZWPMPPQA-UHFFFAOYSA-N
XLogP2.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid (CID 136556342) is 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid is CC(CC(=O)Nc1cc(C(=O)O)cs1)C(F)(F)F.
What is the InChIKey of 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is DNFLXYZWPMPPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-5(10(11,12)13)2-7(15)14-8-3-6(4-18-8)9(16)17/h3-5H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid?
5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4,4-trifluoro-3-methylbutanoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 136556342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).