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

C9H10F3NO2S — CID 63377922

IUPAC5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(C(=O)O)s1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-13(5-9(10,11)12)4-6-2-3-7(16-6)8(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyNTWWKUDSPALZTH-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.44
Rot. Bonds4

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

5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 63377922) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID63377922
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(C(=O)O)s1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-13(5-9(10,11)12)4-6-2-3-7(16-6)8(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyNTWWKUDSPALZTH-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 63378189
5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63377918
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907426
1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone
CID 25023811
5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018
5-[(N,3,5-trimethylanilino)methyl]thiophene-2-carboxylic acid
CID 63378033
5-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377803
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444
5-[(N-ethyl-4-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 63378156
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
CID 63377960
2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
CID 115462619

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (CID 63377922) is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is CN(Cc1ccc(C(=O)O)s1)CC(F)(F)F.
What is the InChIKey of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is NTWWKUDSPALZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-13(5-9(10,11)12)4-6-2-3-7(16-6)8(14)15/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 253.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).