N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide

C7H15F2NO4S — CID 79547289

IUPACN-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide
SMILESCCOC(CNS(=O)(=O)C(F)F)OCC
InChIInChI=1S/C7H15F2NO4S/c1-3-13-6(14-4-2)5-10-15(11,12)7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyFJSRRPMFDONHMP-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.53
Rot. Bonds8

About N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide

N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide (PubChem CID 79547289) has the molecular formula C7H15F2NO4S and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide
PubChem CID79547289
Molecular FormulaC7H15F2NO4S
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC NameN-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide
SMILESCCOC(CNS(=O)(=O)C(F)F)OCC
InChIInChI=1S/C7H15F2NO4S/c1-3-13-6(14-4-2)5-10-15(11,12)7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyFJSRRPMFDONHMP-UHFFFAOYSA-N
XLogP0.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide (CID 79547289) is N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide is CCOC(CNS(=O)(=O)C(F)F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is FJSRRPMFDONHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO4S/c1-3-13-6(14-4-2)5-10-15(11,12)7(8)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide?
N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 247.26 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 79547289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).