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Molecule
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 Mass
- 101.98 g/mol
Identifiers
CAS Registry Number
13779-41-4
SMILES
O=P(O)(F)F
InChI Key
DGTVXEHQMSJRPE-UHFFFAOYSA-N
InChI
InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4)
Names and Synonyms
- Difluorophosphoric Acid Synonym
- Phosphorodifluoridic acid Synonym
- Fluophosphoric acid (F2(HO)PO) Synonym
- Difluorophosphoric acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.98 g/mol | CAS Common Chemistry |
| 101.97600000000001 g/mol | RDKit | |
| 101.976 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Difluorophosphoric_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(F)(F)O | CAS Common Chemistry |
| InChI | InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=DGTVXEHQMSJRPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Difluorophosphoric acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.0257999999999998 | RDKit |
| 1.0258 | RDKit | |
| Molar Refractivity | 12.0413 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 101.968222342 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 101.98 g/mol. Edit any field — others recompute live.
