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Molecule
Bistriflimide
CAS: 82113-65-3 · C2HF6NO4S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 82113-65-3
- Molecular Formula
- C2HF6NO4S2
- Molecular Mass
- 281.16 g/mol
Identifiers
CAS Registry Number
82113-65-3
SMILES
O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI Key
ZXMGHDIOOHOAAE-UHFFFAOYSA-N
InChI
InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H
Names and Synonyms
- Bistriflimide Synonym
- Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]- Synonym
- 1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide Synonym
- Bis(trifluoromethylsulfonyl)amine Synonym
- Bis(trifluoromethylsulfonyl)imide Synonym
- Bis(trifluoromethanesulfonyl)imide Synonym
- Bis(trifluoromethanesulfonyl)amine Synonym
- Triflimide Synonym
- Triflic imide Synonym
- 1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonimide Synonym
- Trifluoromethanesulfonimide Synonym
- Bis(trifluoromethanesulfonyl)amide Synonym
- Bis(trifluoromethane)sulfonimide Synonym
- Bis(trifluormethylsulfonyl)imide Synonym
- 1,1,1-Trifluoro-N-trifluoromethanesulfonylmethanesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.16 g/mol | CAS Common Chemistry |
| 281.1549999999999 g/mol | RDKit | |
| 281.155 g/mol | RDKit | |
| 281.141 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bistriflimide | CAS Common Chemistry |
| Boiling Point | 90 °C @ Press: 2 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| Density | 1.5-1.6 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H | CAS Common Chemistry |
| InChI Key | InChIKey=ZXMGHDIOOHOAAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56 °C | CAS Common Chemistry |
| Name | Bis(trifluoromethanesulfonyl)imide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.31 Ų | RDKit |
| LogP | 0.2752000000000003 | RDKit |
| 0.2752 | RDKit | |
| Molar Refractivity | 33.0853 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 280.92511883200007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 281.16 g/mol. Edit any field — others recompute live.
