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

C11H12F3NO3S — CID 55031468

IUPAC5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12F3NO3S/c1-6(2)15(5-11(12,13)14)9(16)7-3-4-8(19-7)10(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyASYCKCKSZREVII-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.86
Rot. Bonds4

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

5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 55031468) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID55031468
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12F3NO3S/c1-6(2)15(5-11(12,13)14)9(16)7-3-4-8(19-7)10(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyASYCKCKSZREVII-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (CID 55031468) is 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is ASYCKCKSZREVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-6(2)15(5-11(12,13)14)9(16)7-3-4-8(19-7)10(17)18/h3-4,6H,5H2,1-2H3,(H,17,18).
What are the key properties of 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 295.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55031468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).