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

C7H14F3NO3S — CID 64999126

IUPAC2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C7H14F3NO3S/c1-2-6(4-15(11,12)13)3-14-5-7(8,9)10/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyYIGQKCXWGCUUGW-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.88
Rot. Bonds6

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

2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide (PubChem CID 64999126) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
PubChem CID64999126
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C7H14F3NO3S/c1-2-6(4-15(11,12)13)3-14-5-7(8,9)10/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyYIGQKCXWGCUUGW-UHFFFAOYSA-N
XLogP0.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide (CID 64999126) is 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide is CCC(COCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The InChIKey is YIGQKCXWGCUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-2-6(4-15(11,12)13)3-14-5-7(8,9)10/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 64999126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).