2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3NO2S — CID 79258954

IUPAC2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cccs1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-13(5-8(14)15)4-7-2-1-3-16-7/h1-3H,4-6H2,(H,14,15)
InChIKeyPOJLBZMXTZQMJJ-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.20
Rot. Bonds5

About 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258954) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258954
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cccs1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-13(5-8(14)15)4-7-2-1-3-16-7/h1-3H,4-6H2,(H,14,15)
InChIKeyPOJLBZMXTZQMJJ-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258954) is 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1cccs1)CC(F)(F)F.
What is the InChIKey of 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is POJLBZMXTZQMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)6-13(5-8(14)15)4-7-2-1-3-16-7/h1-3H,4-6H2,(H,14,15).
What are the key properties of 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 253.24 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).