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

C8H16F3NO3S — CID 66275112

IUPAC2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
SMILESCCC(COC(C)C(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-3-7(5-16(12,13)14)4-15-6(2)8(9,10)11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyWWPBOROXDLZPTN-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.27
Rot. Bonds6

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

2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide (PubChem CID 66275112) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
PubChem CID66275112
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide
SMILESCCC(COC(C)C(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-3-7(5-16(12,13)14)4-15-6(2)8(9,10)11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyWWPBOROXDLZPTN-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide (CID 66275112) is 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide is CCC(COC(C)C(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
The InChIKey is WWPBOROXDLZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-3-7(5-16(12,13)14)4-15-6(2)8(9,10)11/h6-7H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide?
2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 66275112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).