ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate

C10H5F3N2O3 — CID 102364066

IUPACethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)oc(C#N)c1C#N
InChIInChI=1S/C10H5F3N2O3/c1-2-17-9(16)7-5(3-14)6(4-15)18-8(7)10(11,12)13/h2H2,1H3
InChIKeyQMMSDIFETJZUGG-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.22
Rot. Bonds2

About ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate

ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate (PubChem CID 102364066) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate
PubChem CID102364066
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Nameethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)oc(C#N)c1C#N
InChIInChI=1S/C10H5F3N2O3/c1-2-17-9(16)7-5(3-14)6(4-15)18-8(7)10(11,12)13/h2H2,1H3
InChIKeyQMMSDIFETJZUGG-UHFFFAOYSA-N
XLogP2.22
TPSA87.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
CID 133054703
ethyl 2-cyano-3-ethyl-6-(trifluoromethylsulfanyl)benzoate
CID 134645261
ethyl 2-cyano-6-ethyl-3-(trifluoromethoxy)benzoate
CID 134614915
ethyl 2-cyano-5-hydroxy-3-(trifluoromethyl)benzoate
CID 134644801
ethyl 3-cyano-2-(hydroxymethyl)-6-(trifluoromethyl)benzoate
CID 134644098
ethyl 2-cyano-6-hydroxy-4-(trifluoromethyl)benzoate
CID 134643116
ethyl 2-cyano-4-sulfanyl-3-(trifluoromethyl)benzoate
CID 134643325
ethyl 2-cyano-6-hydroxy-3-sulfanylbenzoate
CID 134641603
ethyl 2-cyano-6-ethyl-3-sulfanylbenzoate
CID 134614909
ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate
CID 133061146
ethyl 2-cyano-3-formyl-6-(trifluoromethoxy)benzoate
CID 134643532
ethyl 3-chloro-2-cyano-4-(trifluoromethyl)benzoate
CID 134651109

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate?
The IUPAC name of ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate (CID 102364066) is ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)oc(C#N)c1C#N.
What is the InChIKey of ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate?
The InChIKey is QMMSDIFETJZUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c1-2-17-9(16)7-5(3-14)6(4-15)18-8(7)10(11,12)13/h2H2,1H3.
What are the key properties of ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate?
ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate has a molecular weight of 258.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate is sourced from PubChem (CID 102364066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).