5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid

C9H8F3NO3S — CID 63227467

IUPAC5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)3-4-13-7(14)5-1-2-6(17-5)8(15)16/h1-2H,3-4H2,(H,13,14)(H,15,16)
InChIKeyQAPLXGWGAHRUEV-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.13
Rot. Bonds4

About 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid

5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 63227467) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID63227467
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)3-4-13-7(14)5-1-2-6(17-5)8(15)16/h1-2H,3-4H2,(H,13,14)(H,15,16)
InChIKeyQAPLXGWGAHRUEV-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid (CID 63227467) is 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is QAPLXGWGAHRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c10-9(11,12)3-4-13-7(14)5-1-2-6(17-5)8(15)16/h1-2H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid?
5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63227467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).