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

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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).