N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C4H5F6NO4S2 — CID 58152795

IUPACN-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H5F6NO4S2/c1-2-11(16(12,13)3(5,6)7)17(14,15)4(8,9)10/h2H2,1H3
InChIKeyIUZNCJBXEMLDTJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.01
Rot. Bonds3

About N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 58152795) has the molecular formula C4H5F6NO4S2 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID58152795
Molecular FormulaC4H5F6NO4S2
Molecular Weight309.21 g/mol
Exact Mass308.96
IUPAC NameN-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H5F6NO4S2/c1-2-11(16(12,13)3(5,6)7)17(14,15)4(8,9)10/h2H2,1H3
InChIKeyIUZNCJBXEMLDTJ-UHFFFAOYSA-N
XLogP1.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-(2-methylpropyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87353297
N-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 312736
N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 58152789
Propyl(trifluoromethylsulfonyl)azanide
CID 58427689
Ethyl(trifluoromethylsulfonyl)azanide
CID 58427701
1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87353247
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 88582497
1,1,1-trifluoro-N-propyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 88977018
1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 123797305
N-butan-2-yl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126606279
N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide
CID 170273180
N-[[ethyl(trifluoromethylsulfonyl)amino]-oxo-(trifluoromethyl)-lambda6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 44132459

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 58152795) is N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is IUZNCJBXEMLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO4S2/c1-2-11(16(12,13)3(5,6)7)17(14,15)4(8,9)10/h2H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 309.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 58152795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).