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

C10H12F3NO2S — CID 63640415

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccsc1C(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-14(6-10(11,12)13)5-7-3-4-17-8(7)9(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyAVYYIVJYELAUMZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.83
Rot. Bonds5

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

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 63640415) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID63640415
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccsc1C(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-14(6-10(11,12)13)5-7-3-4-17-8(7)9(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyAVYYIVJYELAUMZ-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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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid (CID 63640415) is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is CCN(Cc1ccsc1C(=O)O)CC(F)(F)F.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is AVYYIVJYELAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-14(6-10(11,12)13)5-7-3-4-17-8(7)9(15)16/h3-4H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[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 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63640415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).