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

C9H10F3NO2S — CID 60997747

IUPACmethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H10F3NO2S/c1-15-8(14)7(6-2-3-16-4-6)13-5-9(10,11)12/h2-4,7,13H,5H2,1H3
InChIKeyFABXFTRORHXAQK-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.11
Rot. Bonds4

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

methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 60997747) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID60997747
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC Namemethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H10F3NO2S/c1-15-8(14)7(6-2-3-16-4-6)13-5-9(10,11)12/h2-4,7,13H,5H2,1H3
InChIKeyFABXFTRORHXAQK-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-(((1,1-Dimethylethoxy)carbonyl)amino)-3-thiopheneacetic acid
CID 2734582
Methyl 2-amino-2-(thiophen-3-yl)acetate hydrochloride
CID 70292713
Boc-(S)-3-Thienylglycine
CID 7023004
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-(benzylamino)-2-thiophen-3-ylacetate
CID 93406235
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
Ethyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 54892571

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate (CID 60997747) is methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)c1ccsc1.
What is the InChIKey of methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is FABXFTRORHXAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-15-8(14)7(6-2-3-16-4-6)13-5-9(10,11)12/h2-4,7,13H,5H2,1H3.
What are the key properties of methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 253.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 60997747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).