6-(2,2-difluoroethoxy)hexane-1-sulfonamide

C8H17F2NO3S — CID 82009199

IUPAC6-(2,2-difluoroethoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOCC(F)F
InChIInChI=1S/C8H17F2NO3S/c9-8(10)7-14-5-3-1-2-4-6-15(11,12)13/h8H,1-7H2,(H2,11,12,13)
InChIKeyGOWDRADMHMZHQB-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.12
Rot. Bonds9

About 6-(2,2-difluoroethoxy)hexane-1-sulfonamide

6-(2,2-difluoroethoxy)hexane-1-sulfonamide (PubChem CID 82009199) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)hexane-1-sulfonamide
PubChem CID82009199
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC Name6-(2,2-difluoroethoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOCC(F)F
InChIInChI=1S/C8H17F2NO3S/c9-8(10)7-14-5-3-1-2-4-6-15(11,12)13/h8H,1-7H2,(H2,11,12,13)
InChIKeyGOWDRADMHMZHQB-UHFFFAOYSA-N
XLogP1.12
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)hexane-1-sulfonamide?
The IUPAC name of 6-(2,2-difluoroethoxy)hexane-1-sulfonamide (CID 82009199) is 6-(2,2-difluoroethoxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(2,2-difluoroethoxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(2,2-difluoroethoxy)hexane-1-sulfonamide is NS(=O)(=O)CCCCCCOCC(F)F.
What is the InChIKey of 6-(2,2-difluoroethoxy)hexane-1-sulfonamide?
The InChIKey is GOWDRADMHMZHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3S/c9-8(10)7-14-5-3-1-2-4-6-15(11,12)13/h8H,1-7H2,(H2,11,12,13).
What are the key properties of 6-(2,2-difluoroethoxy)hexane-1-sulfonamide?
6-(2,2-difluoroethoxy)hexane-1-sulfonamide has a molecular weight of 245.29 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)hexane-1-sulfonamide is sourced from PubChem (CID 82009199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).