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Molecule
Arsinous Acid, Bis(Trifluoromethyl)-, Anhydride
CAS: 461-91-6 · C4As2F12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 461-91-6
- Molecular Formula
- C4As2F12O
- Molecular Mass
- 441.86 g/mol
Identifiers
CAS Registry Number
461-91-6
SMILES
FC(F)(F)[As](O[As](C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI Key
OGTLUSBBLIUFSX-UHFFFAOYSA-N
InChI
InChI=1S/C4As2F12O/c7-1(8,9)5(2(10,11)12)19-6(3(13,14)15)4(16,17)18
Names and Synonyms
- Arsinous Acid, Bis(Trifluoromethyl)-, Anhydride Systematic Name
- Arsinous acid, bis(trifluoromethyl)-, anhydride Synonym
- Arsine, oxybis[bis(trifluoromethyl)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 441.86 g/mol | CAS Common Chemistry |
| 441.863 g/mol | RDKit | |
| Boiling Point | 100 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)[As](O[As](C(F)(F)F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4As2F12O/c7-1(8,9)5(2(10,11)12)19-6(3(13,14)15)4(16,17)18 | CAS Common Chemistry |
| InChI Key | InChIKey=OGTLUSBBLIUFSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Arsinous acid, bis(trifluoromethyl)-, anhydride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.3919999999999995 | RDKit |
| 3.392 | RDKit | |
| Molar Refractivity | 36.81299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 441.81894626 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.
External Resources
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MW = 441.86 g/mol. Edit any field — others recompute live.
