2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide

C12H24F3NO3S — CID 66274903

IUPAC2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide
SMILESCCCC(CCC)(COC(C)C(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C12H24F3NO3S/c1-4-6-11(7-5-2,9-20(16,17)18)8-19-10(3)12(13,14)15/h10H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyQDZOVTBSPMINML-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.83
Rot. Bonds9

About 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide

2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide (PubChem CID 66274903) has the molecular formula C12H24F3NO3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide
PubChem CID66274903
Molecular FormulaC12H24F3NO3S
Molecular Weight319.39 g/mol
Exact Mass319.14
IUPAC Name2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide
SMILESCCCC(CCC)(COC(C)C(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C12H24F3NO3S/c1-4-6-11(7-5-2,9-20(16,17)18)8-19-10(3)12(13,14)15/h10H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyQDZOVTBSPMINML-UHFFFAOYSA-N
XLogP2.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide?
The IUPAC name of 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide (CID 66274903) is 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide is CCCC(CCC)(COC(C)C(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide?
The InChIKey is QDZOVTBSPMINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO3S/c1-4-6-11(7-5-2,9-20(16,17)18)8-19-10(3)12(13,14)15/h10H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide?
2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pentane-1-sulfonamide is sourced from PubChem (CID 66274903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).