ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate

C10H12F3NO2S — CID 54892571

IUPACethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C10H12F3NO2S/c1-2-16-9(15)8(7-3-4-17-5-7)14-6-10(11,12)13/h3-5,8,14H,2,6H2,1H3
InChIKeyZFFSEANSMVDYGC-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.50
Rot. Bonds5

About ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 54892571) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID54892571
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Nameethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C10H12F3NO2S/c1-2-16-9(15)8(7-3-4-17-5-7)14-6-10(11,12)13/h3-5,8,14H,2,6H2,1H3
InChIKeyZFFSEANSMVDYGC-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-2-(thiophen-3-yl)acetate hydrochloride
CID 70292713
Methyl 2-amino-2-(thiophen-3-YL)acetate
CID 13755818
(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylacetic acid;2,2,2-trifluoroacetic acid
CID 67451577
2-Pyrrolidin-1-yl-2-thiophen-3-ylacetic acid;2,2,2-trifluoroacetic acid
CID 67456464
(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylacetic acid;2,2,2-trifluoroacetic acid
CID 67456765
methyl (2R)-2-(3-methylbut-2-enylamino)-2-thiophen-3-ylacetate
CID 99835092
ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate
CID 134938772
Methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate
CID 134965438
Methyl 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54976935
Methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997747
2-Thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60997862
2-(3-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate (CID 54892571) is ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)c1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is ZFFSEANSMVDYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-16-9(15)8(7-3-4-17-5-7)14-6-10(11,12)13/h3-5,8,14H,2,6H2,1H3.
What are the key properties of ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 267.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 54892571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).