5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid

C10H10F3NO4S — CID 60730823

IUPAC5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C10H10F3NO4S/c11-10(12,13)5-18-4-3-14-8(15)6-1-2-7(19-6)9(16)17/h1-2H,3-5H2,(H,14,15)(H,16,17)
InChIKeySTOYPHIPUWRADG-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.75
Rot. Bonds6

About 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid

5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 60730823) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID60730823
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCOCC(F)(F)F)s1
InChIInChI=1S/C10H10F3NO4S/c11-10(12,13)5-18-4-3-14-8(15)6-1-2-7(19-6)9(16)17/h1-2H,3-5H2,(H,14,15)(H,16,17)
InChIKeySTOYPHIPUWRADG-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid (CID 60730823) is 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCCOCC(F)(F)F)s1.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is STOYPHIPUWRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c11-10(12,13)5-18-4-3-14-8(15)6-1-2-7(19-6)9(16)17/h1-2H,3-5H2,(H,14,15)(H,16,17).
What are the key properties of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid?
5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 297.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60730823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).