2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3NO2S — CID 79265960

IUPAC2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(c1ccsc1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7(8-2-3-17-5-8)14(4-9(15)16)6-10(11,12)13/h2-3,5,7H,4,6H2,1H3,(H,15,16)
InChIKeyAJJFWWYBWDTGIG-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265960) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265960
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(c1ccsc1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7(8-2-3-17-5-8)14(4-9(15)16)6-10(11,12)13/h2-3,5,7H,4,6H2,1H3,(H,15,16)
InChIKeyAJJFWWYBWDTGIG-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 65062970
2-[1-(4-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266261
2-[1-[4-(dimethylamino)phenyl]ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263704
2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263710
2-[tert-butyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 79268430
2-[1-(2,5-dihydroxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266512
2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266650
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221
2-[1-(2-hydroxy-5-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266725
2-[1-(2-nitrophenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263707
2-[ethyl(1-thiophen-3-ylethyl)amino]-2-methylpropanoic acid
CID 65061477
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266804

Frequently Asked Questions

What is the IUPAC name of 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265960) is 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(c1ccsc1)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AJJFWWYBWDTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-7(8-2-3-17-5-8)14(4-9(15)16)6-10(11,12)13/h2-3,5,7H,4,6H2,1H3,(H,15,16).
What are the key properties of 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 267.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).