1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

C6H12F3NO3S — CID 43574736

IUPAC1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-5(2)10(3-4-11)14(12,13)6(7,8)9/h5,11H,3-4H2,1-2H3
InChIKeyDEHZCWXICUEJQY-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.54
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 43574736) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID43574736
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC Name1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-5(2)10(3-4-11)14(12,13)6(7,8)9/h5,11H,3-4H2,1-2H3
InChIKeyDEHZCWXICUEJQY-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (CID 43574736) is 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCO)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is DEHZCWXICUEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c1-5(2)10(3-4-11)14(12,13)6(7,8)9/h5,11H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 235.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 43574736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).