5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid

C10H10F3NO3S — CID 60758512

IUPAC5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H10F3NO3S/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(18-6)9(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyAEIQMVWVKDVBLO-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.47
Rot. Bonds4

About 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid

5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 60758512) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID60758512
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H10F3NO3S/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(18-6)9(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyAEIQMVWVKDVBLO-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (CID 60758512) is 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is AEIQMVWVKDVBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(18-6)9(16)17/h3-4H,2,5H2,1H3,(H,16,17).
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 281.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60758512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).