ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate

C14H11F3O3 — CID 163922496

IUPACethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(C)oc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C14H11F3O3/c1-3-19-14(18)9-4-7(2)20-13(9)8-5-11(16)12(17)6-10(8)15/h4-6H,3H2,1-2H3
InChIKeyRBPTVKDRPUHRGS-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.85
Rot. Bonds3

About ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate

ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate (PubChem CID 163922496) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate
PubChem CID163922496
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Nameethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(C)oc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C14H11F3O3/c1-3-19-14(18)9-4-7(2)20-13(9)8-5-11(16)12(17)6-10(8)15/h4-6H,3H2,1-2H3
InChIKeyRBPTVKDRPUHRGS-UHFFFAOYSA-N
XLogP3.85
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4,5-difluoro-2-hydroxybenzoate
CID 18452909
ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate
CID 165352519
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 5-(4-chloro-2,5-difluorophenyl)-1,3-oxazole-4-carboxylate
CID 82771967
ethyl 4-(2,4,5-trifluorophenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 143821213
ethyl 5-azido-2,4-difluorobenzoate
CID 102479903
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate (CID 163922496) is ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate is CCOC(=O)c1cc(C)oc1-c1cc(F)c(F)cc1F.
What is the InChIKey of ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate?
The InChIKey is RBPTVKDRPUHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c1-3-19-14(18)9-4-7(2)20-13(9)8-5-11(16)12(17)6-10(8)15/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate?
ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate has a molecular weight of 284.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2,4,5-trifluorophenyl)furan-3-carboxylate is sourced from PubChem (CID 163922496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).