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

C9H10F3NO2S — CID 63639380

IUPAC3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccsc1C(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-13(5-9(10,11)12)4-6-2-3-16-7(6)8(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyYPNQDAPSJMXIQM-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.44
Rot. Bonds4

About 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 63639380) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID63639380
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccsc1C(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-13(5-9(10,11)12)4-6-2-3-16-7(6)8(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyYPNQDAPSJMXIQM-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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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (CID 63639380) is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is CN(Cc1ccsc1C(=O)O)CC(F)(F)F.
What is the InChIKey of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is YPNQDAPSJMXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-13(5-9(10,11)12)4-6-2-3-16-7(6)8(14)15/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[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 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63639380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).