methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C5H9F6NO5S2 — CID 175698387

IUPACmethoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCOC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H8O.C2HF6NO4S2/c1-3-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H2,1-2H3;9H
InChIKeyVGYJLTNYWDYYSN-UHFFFAOYSA-N
MW341.25 g/mol
LogP0.93
Rot. Bonds3

About methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 175698387) has the molecular formula C5H9F6NO5S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Namemethoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID175698387
Molecular FormulaC5H9F6NO5S2
Molecular Weight341.25 g/mol
Exact Mass340.98
IUPAC Namemethoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCOC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H8O.C2HF6NO4S2/c1-3-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H2,1-2H3;9H
InChIKeyVGYJLTNYWDYYSN-UHFFFAOYSA-N
XLogP0.93
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 175698387) is methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCOC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is VGYJLTNYWDYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2HF6NO4S2/c1-3-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3H2,1-2H3;9H.
What are the key properties of methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 341.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 175698387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).