2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H11ClF3NO2S — CID 79266345

IUPAC2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(c1ccc(Cl)s1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H11ClF3NO2S/c1-6(7-2-3-8(11)18-7)15(4-9(16)17)5-10(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyFVQOKXCLWAPHBY-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.41
Rot. Bonds5

About 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266345) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266345
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(c1ccc(Cl)s1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H11ClF3NO2S/c1-6(7-2-3-8(11)18-7)15(4-9(16)17)5-10(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyFVQOKXCLWAPHBY-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetic acid
CID 64283208
(2S)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]butanoic acid
CID 129401459
3-[(5-Chlorothiophen-2-yl)methyl-methylamino]-4,4,4-trifluorobutanoic acid
CID 63069181
3-[(5-Chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901231
2-[(5-Chlorothiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258619
2-[(5-Ethylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258869
2-[Thiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258954
2-[[(5-Chlorothiophen-2-yl)methyl-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263921
2-[1-(5-Chlorothiophen-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263937
2-[1-(5-Bromothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265660
2-[1-(3-Methylthiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265810
2-[1-Thiophen-2-ylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266345) is 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC(c1ccc(Cl)s1)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FVQOKXCLWAPHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-6(7-2-3-8(11)18-7)15(4-9(16)17)5-10(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 301.72 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).