5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid

C11H14F3NO3 — CID 62268888

IUPAC5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid
SMILESCCCN(Cc1cc(C(=O)O)co1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c1-2-3-15(7-11(12,13)14)5-9-4-8(6-18-9)10(16)17/h4,6H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyCYCDQQZRYRSJNJ-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.75
Rot. Bonds6

About 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid

5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 62268888) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid
PubChem CID62268888
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid
SMILESCCCN(Cc1cc(C(=O)O)co1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c1-2-3-15(7-11(12,13)14)5-9-4-8(6-18-9)10(16)17/h4,6H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyCYCDQQZRYRSJNJ-UHFFFAOYSA-N
XLogP2.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-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

N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427375
[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
CID 112548849
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
3-[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918773
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55073626
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
CID 62269958
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004

Frequently Asked Questions

What is the IUPAC name of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid (CID 62268888) is 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid is CCCN(Cc1cc(C(=O)O)co1)CC(F)(F)F.
What is the InChIKey of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is CYCDQQZRYRSJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-2-3-15(7-11(12,13)14)5-9-4-8(6-18-9)10(16)17/h4,6H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid?
5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62268888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).