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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-cyanopropyl(ethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274674
4-[[2,2-dimethylpropyl(methyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 55054343
4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274669
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 107480838
4-[[benzyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274854
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62426990
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880683
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid
CID 102721461
5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 62274485
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
4-[(dipropylamino)methyl]-5-methylfuran-2-carbonyl chloride
CID 39260612

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).