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

C5H11F2NO4S — CID 62969094

IUPACN-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide
SMILESCOC(CNS(=O)(=O)C(F)F)OC
InChIInChI=1S/C5H11F2NO4S/c1-11-4(12-2)3-8-13(9,10)5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyFNVPEUXYNSUGTF-UHFFFAOYSA-N
MW219.21 g/mol
LogP-0.25
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide (PubChem CID 62969094) has the molecular formula C5H11F2NO4S and a molecular weight of 219.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide
PubChem CID62969094
Molecular FormulaC5H11F2NO4S
Molecular Weight219.21 g/mol
Exact Mass219.04
IUPAC NameN-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide
SMILESCOC(CNS(=O)(=O)C(F)F)OC
InChIInChI=1S/C5H11F2NO4S/c1-11-4(12-2)3-8-13(9,10)5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyFNVPEUXYNSUGTF-UHFFFAOYSA-N
XLogP-0.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-0.25
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-dimethoxyethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide (CID 62969094) is N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide is COC(CNS(=O)(=O)C(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is FNVPEUXYNSUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO4S/c1-11-4(12-2)3-8-13(9,10)5(6)7/h4-5,8H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide?
N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 219.21 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62969094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).