2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H14F3NO2S — CID 79265818

IUPAC2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(c1cccs1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-2-8(9-4-3-5-18-9)15(6-10(16)17)7-11(12,13)14/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyHUTGVCNHHXEDEY-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.15
Rot. Bonds6

About 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265818) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265818
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(c1cccs1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-2-8(9-4-3-5-18-9)15(6-10(16)17)7-11(12,13)14/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyHUTGVCNHHXEDEY-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265818) is 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid is CCC(c1cccs1)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HUTGVCNHHXEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-2-8(9-4-3-5-18-9)15(6-10(16)17)7-11(12,13)14/h3-5,8H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 281.30 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).