5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid

C9H9F4NO5S — CID 106290601

IUPAC5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H9F4NO5S/c1-4-6(2-5(19-4)7(15)16)20(17,18)14-3-9(12,13)8(10)11/h2,8,14H,3H2,1H3,(H,15,16)
InChIKeyZUMQDUYVOGVJPI-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.46
Rot. Bonds6

About 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid (PubChem CID 106290601) has the molecular formula C9H9F4NO5S and a molecular weight of 319.23 g/mol. Its IUPAC name is 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
PubChem CID106290601
Molecular FormulaC9H9F4NO5S
Molecular Weight319.23 g/mol
Exact Mass319.01
IUPAC Name5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H9F4NO5S/c1-4-6(2-5(19-4)7(15)16)20(17,18)14-3-9(12,13)8(10)11/h2,8,14H,3H2,1H3,(H,15,16)
InChIKeyZUMQDUYVOGVJPI-UHFFFAOYSA-N
XLogP1.46
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid (CID 106290601) is 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is ZUMQDUYVOGVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO5S/c1-4-6(2-5(19-4)7(15)16)20(17,18)14-3-9(12,13)8(10)11/h2,8,14H,3H2,1H3,(H,15,16).
What are the key properties of 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 319.23 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 106290601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).