methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate

C10H10F3NO3S — CID 13286148

IUPACmethyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
SMILESCCc1scc(C(=O)OC)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-3-6-7(14-9(16)10(11,12)13)5(4-18-6)8(15)17-2/h4H,3H2,1-2H3,(H,14,16)
InChIKeyJVMLQZDGLJOCTE-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.60
Rot. Bonds3

About methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate

methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate (PubChem CID 13286148) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
PubChem CID13286148
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Namemethyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
SMILESCCc1scc(C(=O)OC)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-3-6-7(14-9(16)10(11,12)13)5(4-18-6)8(15)17-2/h4H,3H2,1-2H3,(H,14,16)
InChIKeyJVMLQZDGLJOCTE-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethylthiophene-3-carboxylate
CID 13099127
methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 2808347
methyl 2-ethoxy-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750375
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
ethyl 3,5-dichloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 2797906
methyl 5-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
CID 162346378
methyl 3-ethyl-2-fluoro-5-(trifluoromethyl)benzoate
CID 59382635
N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 171986854
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 4-(bromomethyl)-5-(difluoromethyl)thiophene-3-carboxylate
CID 134608498

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate (CID 13286148) is methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate is CCc1scc(C(=O)OC)c1NC(=O)C(F)(F)F.
What is the InChIKey of methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The InChIKey is JVMLQZDGLJOCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-3-6-7(14-9(16)10(11,12)13)5(4-18-6)8(15)17-2/h4H,3H2,1-2H3,(H,14,16).
What are the key properties of methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 13286148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).