1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide

C7H8F9NO3S — CID 3022203

IUPAC1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)4(8,5(9,10)11)6(12,13)14/h18H,2-3H2,1H3
InChIKeyBMUYUEMLIWGNHZ-UHFFFAOYSA-N
MW357.19 g/mol
LogP1.67
Rot. Bonds5

About 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide

1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide (PubChem CID 3022203) has the molecular formula C7H8F9NO3S and a molecular weight of 357.19 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide
PubChem CID3022203
Molecular FormulaC7H8F9NO3S
Molecular Weight357.19 g/mol
Exact Mass357.01
IUPAC Name1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)4(8,5(9,10)11)6(12,13)14/h18H,2-3H2,1H3
InChIKeyBMUYUEMLIWGNHZ-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide (CID 3022203) is 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide is CN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide?
The InChIKey is BMUYUEMLIWGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)4(8,5(9,10)11)6(12,13)14/h18H,2-3H2,1H3.
What are the key properties of 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide?
1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide has a molecular weight of 357.19 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide is sourced from PubChem (CID 3022203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).