[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate

C15H10F5NO4 — CID 2351220

IUPAC[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(C)o1
InChIInChI=1S/C15H10F5NO4/c1-5-3-7(6(2)25-5)15(23)24-4-8(22)21-14-12(19)10(17)9(16)11(18)13(14)20/h3H,4H2,1-2H3,(H,21,22)
InChIKeyMWEXAFNQCGIHAY-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.39
Rot. Bonds4

About [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate

[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2351220) has the molecular formula C15H10F5NO4 and a molecular weight of 363.24 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2351220
Molecular FormulaC15H10F5NO4
Molecular Weight363.24 g/mol
Exact Mass363.05
IUPAC Name[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(C)o1
InChIInChI=1S/C15H10F5NO4/c1-5-3-7(6(2)25-5)15(23)24-4-8(22)21-14-12(19)10(17)9(16)11(18)13(14)20/h3H,4H2,1-2H3,(H,21,22)
InChIKeyMWEXAFNQCGIHAY-UHFFFAOYSA-N
XLogP3.39
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2361469
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584358
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861610
diethyl 5-[[2-(2,5-dimethylfuran-3-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 2584527
[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844551
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584979
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584278
[2-(3,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584847
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584334
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 4148887
[2-(2,4-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435715
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 3-methylthiophene-2-carboxylate
CID 2351108

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate (CID 2351220) is [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(C)o1.
What is the InChIKey of [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is MWEXAFNQCGIHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO4/c1-5-3-7(6(2)25-5)15(23)24-4-8(22)21-14-12(19)10(17)9(16)11(18)13(14)20/h3H,4H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate?
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 363.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2351220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).