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Molecule
Phosphorus Pentafluoride
CAS: 7647-19-0 · F5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7647-19-0
- Molecular Formula
- F5P
- Molecular Mass
- 125.96400000000001 g/mol
Identifiers
CAS Registry Number
7647-19-0
SMILES
FP(F)(F)(F)F
InChI Key
OBCUTHMOOONNBS-UHFFFAOYSA-N
InChI
InChI=1S/F5P/c1-6(2,3,4)5
Names and Synonyms
- Phosphorus Pentafluoride Synonym
- Phosphorane, pentafluoro- Synonym
- Phosphorus fluoride (PF5) Synonym
- Pentafluorophosphorane Synonym
- Phosphorus pentafluoride Synonym
- Pentafluorophosphorus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_pentafluoride | CAS Common Chemistry |
| Boiling Point | -84.6 °C | CAS Common Chemistry |
| Canonical SMILES | FP(F)(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/F5P/c1-6(2,3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=OBCUTHMOOONNBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -93.8 °C | CAS Common Chemistry |
| Name | Pentafluorophosphorane | CAS Common Chemistry |
| Molecular Mass | 125.96400000000001 g/mol | RDKit |
| 125.96577773 g/mol | RDKit | |
| 125.964 g/mol | RDKit | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9621999999999997 | RDKit |
| 2.9622 | RDKit | |
| Molar Refractivity | 12.460000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 125.96 g/mol | CAS Common Chemistry |
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 = 125.96 g/mol. Edit any field — others recompute live.
