methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate

C8H6F3NO3S — CID 172778613

IUPACmethyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H6F3NO3S/c1-15-6(13)4-2-3-5(16-4)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyNYGJMKPDSJAOIL-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.04
Rot. Bonds2

About methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate

methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate (PubChem CID 172778613) has the molecular formula C8H6F3NO3S and a molecular weight of 253.20 g/mol. Its IUPAC name is methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
PubChem CID172778613
Molecular FormulaC8H6F3NO3S
Molecular Weight253.20 g/mol
Exact Mass253.00
IUPAC Namemethyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H6F3NO3S/c1-15-6(13)4-2-3-5(16-4)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyNYGJMKPDSJAOIL-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-amino-2-thiophenecarboxylate
CID 7131725
Ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
CID 2354963
Ethyl 5-benzamido-3-methylthiophene-2-carboxylate
CID 2078477
Ethyl 5-(cyclobutanecarboxamido)-3-methylthiophene-2-carboxylate
CID 2337096
Ethyl 3-methyl-5-[(5-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
CID 2352196
Ethyl 3-methyl-5-(thiophene-2-carboxamido)thiophene-2-carboxylate
CID 2999990
Ethyl 3-methyl-5-pivalamidothiophene-2-carboxylate
CID 4091038
Methyl 6-hydroxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2324443
Ethyl 5-(cyclopropanecarboxamido)-3-methylthiophene-2-carboxylate
CID 5310206
Ethyl 5-hexadecylamino-2-thiophenecarboxylate
CID 20503573
5-(((Tert-butoxy)carbonyl)amino)thiophene-2-carboxylic acid
CID 22105569
Ethyl 5-acetamido-3-methylthiophene-2-carboxylate
CID 1215212

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate (CID 172778613) is methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate?
The InChIKey is NYGJMKPDSJAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3S/c1-15-6(13)4-2-3-5(16-4)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate?
methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate has a molecular weight of 253.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 172778613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).