3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide

C9H18F3NO3S — CID 66274898

IUPAC3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COC(C)C(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C9H18F3NO3S/c1-6(2)8(5-17(13,14)15)4-16-7(3)9(10,11)12/h6-8H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyZZYXSHJIPPISGB-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.51
Rot. Bonds6

About 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide

3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide (PubChem CID 66274898) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
PubChem CID66274898
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COC(C)C(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C9H18F3NO3S/c1-6(2)8(5-17(13,14)15)4-16-7(3)9(10,11)12/h6-8H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyZZYXSHJIPPISGB-UHFFFAOYSA-N
XLogP1.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide (CID 66274898) is 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide is CC(C)C(COC(C)C(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
The InChIKey is ZZYXSHJIPPISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-6(2)8(5-17(13,14)15)4-16-7(3)9(10,11)12/h6-8H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 66274898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).