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

C10H12F3NO2S — CID 55182910

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccc(C(=O)O)s1)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-14(6-10(11,12)13)5-7-3-4-8(17-7)9(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyJAWZPEZFIQCVEJ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.83
Rot. Bonds5

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

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 55182910) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID55182910
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccc(C(=O)O)s1)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-14(6-10(11,12)13)5-7-3-4-8(17-7)9(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyJAWZPEZFIQCVEJ-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)thiophene-2-carboxylic acid hydrochloride
CID 70086882
Methyl 5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]thiophene-2-carboxylate
CID 84586934
5-[(Piperidin-1-yl)methyl]thiophene-2-carboxylic acid hydrochloride
CID 54595872
6-Methyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-2-carboxylic acid hydroc+
CID 91666213
5-[(4-Methylpiperazin-1-yl)methyl]thiophene-2-carboxylic acid dihydrochloride
CID 132327533
5-[(Dimethylamino)methyl]-2-thiophenecarboxylic acid
CID 4261499
5-(Diethylcarbamoyl)thiophene-2-carboxylic acid
CID 43414408
Methyl 5-[cyclopropyl(2,2-difluoroethyl)carbamoyl]thiophene-2-carboxylate
CID 56782513
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
5-[[(2S)-4,4-difluoro-2-methylpiperidin-1-yl]methyl]thiophene-3-carboxylic acid
CID 164630855

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (CID 55182910) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is CCN(Cc1ccc(C(=O)O)s1)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is JAWZPEZFIQCVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-14(6-10(11,12)13)5-7-3-4-8(17-7)9(15)16/h3-4H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 2.83, 5 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)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).