3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide

C8H16F3NO3S — CID 65012636

IUPAC3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-6(2)7(4-16(12,13)14)3-15-5-8(9,10)11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyYJKMXSXFGVKMCI-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.13
Rot. Bonds6

About 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide

3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide (PubChem CID 65012636) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
PubChem CID65012636
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-6(2)7(4-16(12,13)14)3-15-5-8(9,10)11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyYJKMXSXFGVKMCI-UHFFFAOYSA-N
XLogP1.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylbutoxy)ethane-1-sulfonamide
CID 61484175
2-Methyl-3-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
CID 64219643
2-(2,2,2-Trifluoroethoxymethyl)butane-1-sulfonamide
CID 64999126
2-Ethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
CID 65003496
3-Methyl-2-((2,2,2-trifluoroethoxy)methyl)butane-1-sulfonyl chloride
CID 65012882
2-(2,2,2-Trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118
3,3-Dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonyl chloride
CID 65015159
3,3-Dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
CID 65015670
3-Methyl-5-(2,2,2-trifluoroethoxy)pentane-1-sulfonamide
CID 65667226
3-Methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
CID 66274898
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide
CID 66274899
2-(1,1,1-Trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
CID 66275112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide (CID 65012636) is 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide is CC(C)C(COCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The InChIKey is YJKMXSXFGVKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-6(2)7(4-16(12,13)14)3-15-5-8(9,10)11/h6-7H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 65012636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).