Back to Search
Difluorophosphoric Acid
CAS: 13779-41-4 | HF2O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13779-41-4
Molecular Formula:
HF2O2P
Molecular Weight:
101.97600000000001 g/mol
Names and Synonyms:
Difluorophosphoric Acid
Phosphorodifluoridic acid
Fluophosphoric acid (F2(HO)PO)
Difluorophosphoric acid
Identifiers:
SMILES:
O=P(O)(F)F
InChI:
InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.98 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Difluorophosphoric_acid None | Legacy Database |
| cas-canonical-smile | O=P(F)(F)O None | Legacy Database |
| cas-inchi | InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=DGTVXEHQMSJRPE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Difluorophosphoric acid None | Legacy Database |
| wikipedia-name | Difluorophosphoric acid None | Legacy Database |
| LogP | 1.0257999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.97600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.968222342 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.0413 | RDKit |
