2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid

C7H6F3NO2S — CID 67782487

IUPAC2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid
SMILESO=C(O)CNc1sccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-1-2-14-6(4)11-3-5(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyUOSSUTUGMYMURH-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.26
Rot. Bonds3

About 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid

2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid (PubChem CID 67782487) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid
PubChem CID67782487
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid
SMILESO=C(O)CNc1sccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-1-2-14-6(4)11-3-5(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyUOSSUTUGMYMURH-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid (CID 67782487) is 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid is O=C(O)CNc1sccc1C(F)(F)F.
What is the InChIKey of 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid?
The InChIKey is UOSSUTUGMYMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)4-1-2-14-6(4)11-3-5(12)13/h1-2,11H,3H2,(H,12,13).
What are the key properties of 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid?
2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid has a molecular weight of 225.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)thiophen-2-yl]amino]acetic acid is sourced from PubChem (CID 67782487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).