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

C11H10F3NO3S — CID 61410026

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)5-15(6-1-2-6)9(16)7-3-4-8(19-7)10(17)18/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyLMIUFKFYPQZIKS-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.61
Rot. Bonds4

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

5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 61410026) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID61410026
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)5-15(6-1-2-6)9(16)7-3-4-8(19-7)10(17)18/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyLMIUFKFYPQZIKS-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (CID 61410026) is 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is LMIUFKFYPQZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)5-15(6-1-2-6)9(16)7-3-4-8(19-7)10(17)18/h3-4,6H,1-2,5H2,(H,17,18).
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61410026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).