2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid

C10H10F3NO4S — CID 103206178

IUPAC2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
SMILESO=C(COCC(F)(F)F)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H10F3NO4S/c11-10(12,13)5-18-4-7(15)14-8(9(16)17)6-2-1-3-19-6/h1-3,8H,4-5H2,(H,14,15)(H,16,17)
InChIKeyKDODPVVPGLTNCU-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.57
Rot. Bonds6

About 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid

2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid (PubChem CID 103206178) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
PubChem CID103206178
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
SMILESO=C(COCC(F)(F)F)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H10F3NO4S/c11-10(12,13)5-18-4-7(15)14-8(9(16)17)6-2-1-3-19-6/h1-3,8H,4-5H2,(H,14,15)(H,16,17)
InChIKeyKDODPVVPGLTNCU-UHFFFAOYSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid (CID 103206178) is 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid is O=C(COCC(F)(F)F)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The InChIKey is KDODPVVPGLTNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c11-10(12,13)5-18-4-7(15)14-8(9(16)17)6-2-1-3-19-6/h1-3,8H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid has a molecular weight of 297.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 103206178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).