N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

C7H14F3NO3S — CID 79387974

IUPACN-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-4-11(5-6(2,3)12)15(13,14)7(8,9)10/h12H,4-5H2,1-3H3
InChIKeyCIYGIHNUHRUGTR-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.93
Rot. Bonds4

About N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 79387974) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID79387974
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC NameN-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-4-11(5-6(2,3)12)15(13,14)7(8,9)10/h12H,4-5H2,1-3H3
InChIKeyCIYGIHNUHRUGTR-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (CID 79387974) is N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is CIYGIHNUHRUGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-4-11(5-6(2,3)12)15(13,14)7(8,9)10/h12H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 79387974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).