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

C11H12F3NO3S — CID 60778520

IUPAC5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12F3NO3S/c1-2-5-15(6-11(12,13)14)9(16)7-3-4-8(19-7)10(17)18/h3-4H,2,5-6H2,1H3,(H,17,18)
InChIKeyQGEVHMXDXTVUDA-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.86
Rot. Bonds5

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

5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 60778520) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID60778520
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12F3NO3S/c1-2-5-15(6-11(12,13)14)9(16)7-3-4-8(19-7)10(17)18/h3-4H,2,5-6H2,1H3,(H,17,18)
InChIKeyQGEVHMXDXTVUDA-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (CID 60778520) is 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is CCCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is QGEVHMXDXTVUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-2-5-15(6-11(12,13)14)9(16)7-3-4-8(19-7)10(17)18/h3-4H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 295.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60778520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).