3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid

C9H10FNO3S — CID 130561847

IUPAC3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid
SMILESCC(C)(F)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C9H10FNO3S/c1-9(2,10)8(14)11-5-3-4-15-6(5)7(12)13/h3-4H,1-2H3,(H,11,14)(H,12,13)
InChIKeyBIHZHHUSQHJDJP-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.13
Rot. Bonds3

About 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid

3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid (PubChem CID 130561847) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid
PubChem CID130561847
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid
SMILESCC(C)(F)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C9H10FNO3S/c1-9(2,10)8(14)11-5-3-4-15-6(5)7(12)13/h3-4H,1-2H3,(H,11,14)(H,12,13)
InChIKeyBIHZHHUSQHJDJP-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid (CID 130561847) is 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid is CC(C)(F)C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is BIHZHHUSQHJDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-9(2,10)8(14)11-5-3-4-15-6(5)7(12)13/h3-4H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid?
3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-2-methylpropanoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 130561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).