2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid

C8H8F3NO2S — CID 61345564

IUPAC2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)4-12-6(7(13)14)5-2-1-3-15-5/h1-3,6,12H,4H2,(H,13,14)
InChIKeyIIEHSTNVZSRQDO-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.03
Rot. Bonds4

About 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid

2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 61345564) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID61345564
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)4-12-6(7(13)14)5-2-1-3-15-5/h1-3,6,12H,4H2,(H,13,14)
InChIKeyIIEHSTNVZSRQDO-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid (CID 61345564) is 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)C(NCC(F)(F)F)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is IIEHSTNVZSRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)4-12-6(7(13)14)5-2-1-3-15-5/h1-3,6,12H,4H2,(H,13,14).
What are the key properties of 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid?
2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 239.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 61345564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).