methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate

C8H8F3NO2S — CID 69175818

IUPACmethyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-14-7(13)6-5(2-3-15-6)12-4-8(9,10)11/h2-3,12H,4H2,1H3
InChIKeyIBLUPOXTJIDCJY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.51
Rot. Bonds3

About methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate

methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate (PubChem CID 69175818) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
PubChem CID69175818
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Namemethyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-14-7(13)6-5(2-3-15-6)12-4-8(9,10)11/h2-3,12H,4H2,1H3
InChIKeyIBLUPOXTJIDCJY-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
CID 62836849
methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
CID 59702062
methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate
CID 79805278
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]thiophene-2-carboxylate
CID 3756806
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
methyl 3-[(2-carbamothioyl-2-methylbutanoyl)amino]thiophene-2-carboxylate
CID 114291899
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-(3-methylpentanoylamino)thiophene-2-carboxylate
CID 114875732

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate (CID 69175818) is methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NCC(F)(F)F.
What is the InChIKey of methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate?
The InChIKey is IBLUPOXTJIDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-14-7(13)6-5(2-3-15-6)12-4-8(9,10)11/h2-3,12H,4H2,1H3.
What are the key properties of methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate?
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate has a molecular weight of 239.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate is sourced from PubChem (CID 69175818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).