4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid

C11H14F3NO3 — CID 62274684

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)oc1C)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c1-3-15(6-11(12,13)14)5-8-4-9(10(16)17)18-7(8)2/h4H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyORKTYFYBKXBGEI-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.67
Rot. Bonds5

About 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62274684) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID62274684
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)oc1C)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c1-3-15(6-11(12,13)14)5-8-4-9(10(16)17)18-7(8)2/h4H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyORKTYFYBKXBGEI-UHFFFAOYSA-N
XLogP2.67
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid (CID 62274684) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid is CCN(Cc1cc(C(=O)O)oc1C)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is ORKTYFYBKXBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-3-15(6-11(12,13)14)5-8-4-9(10(16)17)18-7(8)2/h4H,3,5-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62274684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).