N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide

C8H16F3NO3S — CID 106253379

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-3-7(4-2,6-13)5-12-16(14,15)8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyMZCAAUWIDHFULR-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.22
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 106253379) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID106253379
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-3-7(4-2,6-13)5-12-16(14,15)8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyMZCAAUWIDHFULR-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide (CID 106253379) is N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide is CCC(CC)(CO)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is MZCAAUWIDHFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-3-7(4-2,6-13)5-12-16(14,15)8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 106253379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).