3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide

C7H15F2NO3S — CID 82008850

IUPAC3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COCC(F)F)CS(N)(=O)=O
InChIInChI=1S/C7H15F2NO3S/c1-7(2,5-14(10,11)12)4-13-3-6(8)9/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyBHGRVQYLNLSIEJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.58
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide

3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 82008850) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide
PubChem CID82008850
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC Name3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COCC(F)F)CS(N)(=O)=O
InChIInChI=1S/C7H15F2NO3S/c1-7(2,5-14(10,11)12)4-13-3-6(8)9/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyBHGRVQYLNLSIEJ-UHFFFAOYSA-N
XLogP0.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide (CID 82008850) is 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide is CC(C)(COCC(F)F)CS(N)(=O)=O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is BHGRVQYLNLSIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-7(2,5-14(10,11)12)4-13-3-6(8)9/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide?
3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 82008850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).