5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid

C11H12F3NO3S — CID 113328026

IUPAC5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCCCC(F)(F)F)s1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)5-1-2-6-15-9(16)7-3-4-8(19-7)10(17)18/h3-4H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKeyUGXGFCOBJCLZLB-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.91
Rot. Bonds6

About 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid

5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 113328026) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID113328026
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCCCC(F)(F)F)s1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)5-1-2-6-15-9(16)7-3-4-8(19-7)10(17)18/h3-4H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKeyUGXGFCOBJCLZLB-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Aminomethyl)thiophene-2-carboxylic acid hydrochloride
CID 70086882
5-Carbamoylthiophene-2-carboxylic acid
CID 723562
8-(Thiophene-2-carbonylamino)octanoic acid
CID 10635685
5-({[(Tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid
CID 22350606
5-[({[1-(Cyclobutylcarbonyl)-4-piperidinyl]carbonyl}amino)methyl]-2-thiophenecarboxylic acid
CID 72890331
5-(Pyrrolidin-2-yl)thiophene-2-carboxylic acid hydrochloride
CID 47000651
5-(Tert-butylcarbamoyl)thiophene-2-carboxylic acid
CID 2314276
5-[(Dimethylamino)methyl]-2-thiophenecarboxylic acid
CID 4261499
5-(Diethylcarbamoyl)thiophene-2-carboxylic acid
CID 43414408
5-{[(2-Methoxyethyl)(propyl)amino]carbonyl}thiophene-2-carboxylic acid
CID 74248605
5-[Cyclobutylmethyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
CID 75472268
5-[Cyclopentyl(prop-2-ynyl)carbamoyl]thiophene-2-carboxylic acid
CID 75497830

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid (CID 113328026) is 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCCCCC(F)(F)F)s1.
What is the InChIKey of 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is UGXGFCOBJCLZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)5-1-2-6-15-9(16)7-3-4-8(19-7)10(17)18/h3-4H,1-2,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid?
5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 295.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,5-trifluoropentylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 113328026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).