5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid

C9H8F4O4 — CID 660901

IUPAC5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C9H8F4O4/c10-8(11)9(12,13)4-16-3-5-1-2-6(17-5)7(14)15/h1-2,8H,3-4H2,(H,14,15)
InChIKeyLWEHCQLIQPPYDE-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.39
Rot. Bonds6

About 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid

5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid (PubChem CID 660901) has the molecular formula C9H8F4O4 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid
PubChem CID660901
Molecular FormulaC9H8F4O4
Molecular Weight256.15 g/mol
Exact Mass256.04
IUPAC Name5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C9H8F4O4/c10-8(11)9(12,13)4-16-3-5-1-2-6(17-5)7(14)15/h1-2,8H,3-4H2,(H,14,15)
InChIKeyLWEHCQLIQPPYDE-UHFFFAOYSA-N
XLogP2.39
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid (CID 660901) is 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid is O=C(O)c1ccc(COCC(F)(F)C(F)F)o1.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid?
The InChIKey is LWEHCQLIQPPYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O4/c10-8(11)9(12,13)4-16-3-5-1-2-6(17-5)7(14)15/h1-2,8H,3-4H2,(H,14,15).
What are the key properties of 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid?
5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid has a molecular weight of 256.15 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 660901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).