N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

C10H10F13NO4S — CID 175369354

IUPACN-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C10H10F13NO4S/c1-27-4(28-2)3-24-29(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4,24H,3H2,1-2H3
InChIKeyPBSCEKFHXOZFRQ-UHFFFAOYSA-N
MW487.23 g/mol
LogP3.22
Rot. Bonds10

About N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide (PubChem CID 175369354) has the molecular formula C10H10F13NO4S and a molecular weight of 487.23 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
PubChem CID175369354
Molecular FormulaC10H10F13NO4S
Molecular Weight487.23 g/mol
Exact Mass487.01
IUPAC NameN-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C10H10F13NO4S/c1-27-4(28-2)3-24-29(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4,24H,3H2,1-2H3
InChIKeyPBSCEKFHXOZFRQ-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.23
LogP ≤ 53.22
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)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide (CID 175369354) is N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide is COC(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The InChIKey is PBSCEKFHXOZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F13NO4S/c1-27-4(28-2)3-24-29(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4,24H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide has a molecular weight of 487.23 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide is sourced from PubChem (CID 175369354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).