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

C9H10F3NO2S — CID 61345565

IUPACmethyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C9H10F3NO2S/c1-15-8(14)7(6-3-2-4-16-6)13-5-9(10,11)12/h2-4,7,13H,5H2,1H3
InChIKeyCPTWYYDAXNGPNQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.11
Rot. Bonds4

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

methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 61345565) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID61345565
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC Namemethyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C9H10F3NO2S/c1-15-8(14)7(6-3-2-4-16-6)13-5-9(10,11)12/h2-4,7,13H,5H2,1H3
InChIKeyCPTWYYDAXNGPNQ-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

methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
methyl 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892807
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
CID 19834269
methyl 2-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54893180
methyl 2-(2,3-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 60997634
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride
CID 120902853
methyl 2-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892520
methyl 2-(2,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892899
2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid
CID 115284238

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate (CID 61345565) is methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)c1cccs1.
What is the InChIKey of methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is CPTWYYDAXNGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-15-8(14)7(6-3-2-4-16-6)13-5-9(10,11)12/h2-4,7,13H,5H2,1H3.
What are the key properties of methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-thiophen-2-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-2-yl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 61345565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).