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Molecule
Pentafluoropropionic Anhydride
CAS: 356-42-3 · C6F10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 356-42-3
- Molecular Formula
- C6F10O3
- Molecular Mass
- 310.04 g/mol
Identifiers
CAS Registry Number
356-42-3
SMILES
O=C(OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChI Key
XETRHNFRKCNWAJ-UHFFFAOYSA-N
InChI
InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16
Names and Synonyms
- Pentafluoropropionic Anhydride Common Name
- Propanoic acid, 2,2,3,3,3-pentafluoro-, 1,1′-anhydride Synonym
- Propionic acid, pentafluoro-, anhydride Synonym
- Propanoic acid, pentafluoro-, anhydride Synonym
- Pentafluoropropionic anhydride Synonym
- Pentafluoropropionic acid anhydride Synonym
- Perfluoropropionic anhydride Synonym
- Perfluoropropionic acid anhydride Synonym
- Pentafluoropropionyl anhydride Synonym
- 2,2,3,3,3-Pentafluoropropionic anhydride Synonym
- Perfluoropropanoic anhydride Synonym
- Pentafluoropropanoic anhydride Synonym
- NSC 174167 Synonym
- 2,2,3,3,3-Pentafluoropropanoic anhydride Synonym
- 2,2,3,3,3-Pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.04 g/mol | CAS Common Chemistry |
| 310.04299999999995 g/mol | RDKit | |
| 310.043 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.571 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 73 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16 | CAS Common Chemistry |
| InChI Key | InChIKey=XETRHNFRKCNWAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentafluoropropionic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 2.4513999999999996 | RDKit |
| 2.4514 | RDKit | |
| Molar Refractivity | 33.103 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 309.96877606 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 = 310.04 g/mol; density = 1.570 g/mL. Edit any field — others recompute live.
