2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride

C9H8ClF4NO4S — CID 106295734

IUPAC2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NCC(F)(F)C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H8ClF4NO4S/c1-4-6(20(10,17)18)2-5(19-4)7(16)15-3-9(13,14)8(11)12/h2,8H,3H2,1H3,(H,15,16)
InChIKeyZOSJRENJCFWTJJ-UHFFFAOYSA-N
MW337.68 g/mol
LogP2.15
Rot. Bonds5

About 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride

2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride (PubChem CID 106295734) has the molecular formula C9H8ClF4NO4S and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride
PubChem CID106295734
Molecular FormulaC9H8ClF4NO4S
Molecular Weight337.68 g/mol
Exact Mass336.98
IUPAC Name2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NCC(F)(F)C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H8ClF4NO4S/c1-4-6(20(10,17)18)2-5(19-4)7(16)15-3-9(13,14)8(11)12/h2,8H,3H2,1H3,(H,15,16)
InChIKeyZOSJRENJCFWTJJ-UHFFFAOYSA-N
XLogP2.15
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65372173
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
tert-butyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65398469
3-bromo-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106292523
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
5-[ethyl(2-methylbutyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 79471079
5-[(4,4-dimethylcyclohexyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398806
2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride
CID 65396030
5-[3-methoxypropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398763
2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride
CID 65370536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride (CID 106295734) is 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride is Cc1oc(C(=O)NCC(F)(F)C(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride?
The InChIKey is ZOSJRENJCFWTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4NO4S/c1-4-6(20(10,17)18)2-5(19-4)7(16)15-3-9(13,14)8(11)12/h2,8H,3H2,1H3,(H,15,16).
What are the key properties of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride?
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride has a molecular weight of 337.68 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 106295734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).