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

C6H10F5NO4S — CID 175369359

IUPACN-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCOC(CNS(=O)(=O)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C6H10F5NO4S/c1-15-4(16-2)3-12-17(13,14)6(10,11)5(7,8)9/h4,12H,3H2,1-2H3
InChIKeyBRTVEADZJJCNFC-UHFFFAOYSA-N
MW287.21 g/mol
LogP0.68
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 175369359) has the molecular formula C6H10F5NO4S and a molecular weight of 287.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID175369359
Molecular FormulaC6H10F5NO4S
Molecular Weight287.21 g/mol
Exact Mass287.03
IUPAC NameN-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCOC(CNS(=O)(=O)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C6H10F5NO4S/c1-15-4(16-2)3-12-17(13,14)6(10,11)5(7,8)9/h4,12H,3H2,1-2H3
InChIKeyBRTVEADZJJCNFC-UHFFFAOYSA-N
XLogP0.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide (CID 175369359) is N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide is COC(CNS(=O)(=O)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is BRTVEADZJJCNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO4S/c1-15-4(16-2)3-12-17(13,14)6(10,11)5(7,8)9/h4,12H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
N-(2,2-dimethoxyethyl)-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 287.21 g/mol, XLogP of 0.68, 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)-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 175369359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).