5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid

C9H9F3O3 — CID 165441465

IUPAC5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)c(C(F)(F)F)o1
InChIInChI=1S/C9H9F3O3/c1-2-3-5-4-6(8(13)14)7(15-5)9(10,11)12/h4H,2-3H2,1H3,(H,13,14)
InChIKeyTXWKWCCEPHGQAL-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.95
Rot. Bonds3

About 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid

5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid (PubChem CID 165441465) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid
PubChem CID165441465
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)c(C(F)(F)F)o1
InChIInChI=1S/C9H9F3O3/c1-2-3-5-4-6(8(13)14)7(15-5)9(10,11)12/h4H,2-3H2,1H3,(H,13,14)
InChIKeyTXWKWCCEPHGQAL-UHFFFAOYSA-N
XLogP2.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propyl-2-(trifluoromethyl)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

5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
CID 133055417
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanoic acid
CID 170873595
5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
CID 84664446
5-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-(trifluoromethyl)furan-3-carboxylic acid
CID 46214331
2-methyl-5-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
CID 103628815
ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
CID 133054703
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
3-chloro-5-propyl-7-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
CID 130281923
2-propylthiophene-3-carboxylic acid
CID 131595068
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid?
The IUPAC name of 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid (CID 165441465) is 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid is CCCc1cc(C(=O)O)c(C(F)(F)F)o1.
What is the InChIKey of 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid?
The InChIKey is TXWKWCCEPHGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3/c1-2-3-5-4-6(8(13)14)7(15-5)9(10,11)12/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid?
5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid has a molecular weight of 222.16 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-(trifluoromethyl)furan-3-carboxylic acid is sourced from PubChem (CID 165441465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).