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

C9H8F3NO3S — CID 2808347

IUPACmethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(F)(F)F)csc1C
InChIInChI=1S/C9H8F3NO3S/c1-4-6(7(14)16-2)5(3-17-4)13-8(15)9(10,11)12/h3H,1-2H3,(H,13,15)
InChIKeyRUHXDTWHPSVTOZ-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.34
Rot. Bonds2

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

methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate (PubChem CID 2808347) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
PubChem CID2808347
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Namemethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(F)(F)F)csc1C
InChIInChI=1S/C9H8F3NO3S/c1-4-6(7(14)16-2)5(3-17-4)13-8(15)9(10,11)12/h3H,1-2H3,(H,13,15)
InChIKeyRUHXDTWHPSVTOZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-methylthiophene-3-carboxylate
CID 12710776
methyl 4-[(4-methoxycarbonyl-5-methylthiophen-3-yl)disulfanyl]-2-methylthiophene-3-carboxylate
CID 16640276
methyl 5-methyl-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 841353
methyl 5-ethyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 13286148
methyl 4-chlorosulfonyl-2-methylthiophene-3-carboxylate
CID 172915706
methyl 4-iodo-3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 11845889
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563
methyl 4-(4-methylphenyl)sulfanyl-3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 141142910
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82881459
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
methyl 3-[(2,2,2-trifluoroacetyl)amino]-1-benzofuran-2-carboxylate
CID 118450174

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate (CID 2808347) is methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C(F)(F)F)csc1C.
What is the InChIKey of methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
The InChIKey is RUHXDTWHPSVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-4-6(7(14)16-2)5(3-17-4)13-8(15)9(10,11)12/h3H,1-2H3,(H,13,15).
What are the key properties of methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate?
methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate has a molecular weight of 267.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2808347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).