2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide

C7H15F2NO3S — CID 82010518

IUPAC2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC(F)F)CS(N)(=O)=O
InChIInChI=1S/C7H15F2NO3S/c1-2-6(5-14(10,11)12)3-13-4-7(8)9/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyHUPQCBXEUXOYEH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.58
Rot. Bonds7

About 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide

2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide (PubChem CID 82010518) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide
PubChem CID82010518
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC Name2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC(F)F)CS(N)(=O)=O
InChIInChI=1S/C7H15F2NO3S/c1-2-6(5-14(10,11)12)3-13-4-7(8)9/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyHUPQCBXEUXOYEH-UHFFFAOYSA-N
XLogP0.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

2-(3-Methylbutoxy)ethane-1-sulfonamide
CID 61484175
3-(2,2,2-Trifluoroethoxy)propane-1-sulfonamide
CID 61491401
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonamide
CID 64201106
4-(2,2,2-Trifluoroethoxy)butane-1-sulfonamide
CID 64201107
4-(2,2,3,3-Tetrafluoropropoxy)butane-1-sulfonamide
CID 64203383
2-Methyl-3-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
CID 64219643
2-(2,2,2-Trifluoroethoxymethyl)butane-1-sulfonamide
CID 64999126
2,2-Dimethyl-3-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
CID 64999177
2-[(2,2,2-Trifluoroethoxy)methyl]butane-1-sulfonyl chloride
CID 64999856
3-Methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
CID 65012636
3-Methyl-2-((2,2,2-trifluoroethoxy)methyl)butane-1-sulfonyl chloride
CID 65012882
2-(2,2,2-Trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide (CID 82010518) is 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide is CCC(COCC(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide?
The InChIKey is HUPQCBXEUXOYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-2-6(5-14(10,11)12)3-13-4-7(8)9/h6-7H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide?
2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 82010518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).