2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid

C7H6F3NO2S — CID 82662500

IUPAC2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid
SMILESNC(C(=O)O)c1csc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-1-3(2-14-4)5(11)6(12)13/h1-2,5H,11H2,(H,12,13)
InChIKeyWGBVTWJAZYHKST-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid

2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid (PubChem CID 82662500) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid
PubChem CID82662500
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid
SMILESNC(C(=O)O)c1csc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-1-3(2-14-4)5(11)6(12)13/h1-2,5H,11H2,(H,12,13)
InChIKeyWGBVTWJAZYHKST-UHFFFAOYSA-N
XLogP1.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid (CID 82662500) is 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid is NC(C(=O)O)c1csc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid?
The InChIKey is WGBVTWJAZYHKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)4-1-3(2-14-4)5(11)6(12)13/h1-2,5H,11H2,(H,12,13).
What are the key properties of 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid?
2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid has a molecular weight of 225.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(trifluoromethyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 82662500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).