1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

C4H8F3NO3S — CID 60961276

IUPAC1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-8(2-3-9)12(10,11)4(5,6)7/h9H,2-3H2,1H3
InChIKeyBMCWMGVTRXCPQQ-UHFFFAOYSA-N
MW207.17 g/mol
LogP-0.24
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (PubChem CID 60961276) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
PubChem CID60961276
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-8(2-3-9)12(10,11)4(5,6)7/h9H,2-3H2,1H3
InChIKeyBMCWMGVTRXCPQQ-UHFFFAOYSA-N
XLogP-0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide
CID 118688
Choline bis(trifluoromethylsulfonyl)imide
CID 53260965
Undecafluoro-N-(2-hydroxyethyl)-N-methyl-1-pentanesulfonamide
CID 110555
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
CID 118686
1,1,2,3,3,3-Hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022203
1,1,2,2,3,3,4,4-Octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide
CID 3022847
2-[Methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate
CID 14868586
Trimethyl-[2-(trifluoromethylsulfonyloxy)ethyl]azanium
CID 14868754
N-ethyl-1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)ethanesulfonamide
CID 17990763
Fluoro-(2-hydroxyethyl)-methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanium
CID 21612225
Bis(2-hydroxyethyl)-dimethylazanium;trifluoromethanesulfonic acid
CID 57483598
N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide
CID 57641698

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (CID 60961276) is 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is CN(CCO)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The InChIKey is BMCWMGVTRXCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c1-8(2-3-9)12(10,11)4(5,6)7/h9H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of -0.24, 3 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-methylmethanesulfonamide is sourced from PubChem (CID 60961276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).