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Molecule
Octafluoropropane
CAS: 76-19-7 · C3F8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 76-19-7
- Molecular Formula
- C3F8
- Molecular Mass
- 188.02 g/mol
Identifiers
CAS Registry Number
76-19-7
SMILES
FC(F)(F)C(F)(F)C(F)(F)F
InChI Key
QYSGYZVSCZSLHT-UHFFFAOYSA-N
InChI
InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
Names and Synonyms
- Octafluoropropane Common Name
- Propane, 1,1,1,2,2,3,3,3-octafluoro- Synonym
- Propane, octafluoro- Synonym
- 1,1,1,2,2,3,3,3-Octafluoropropane Synonym
- Octafluoropropane Synonym
- Freon 218 Synonym
- Perfluoropropane Synonym
- Genetron 218 Synonym
- R 218 Synonym
- FC 218 Synonym
- FC 218 (refrigerant) Synonym
- HFC 218 Synonym
- FS 069 Synonym
- PFC 218 Synonym
- Perflutren Synonym
- Definity Synonym
- Optison Synonym
- Meforex 218 Synonym
- DMP 115 Synonym
- MRX 115 Synonym
- UN 2424 Synonym
- F 218 Synonym
- MRH 815H Synonym
- YM 454 Synonym
- Khladon 218 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.02 g/mol | CAS Common Chemistry |
| 188.017 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octafluoropropane | CAS Common Chemistry |
| Boiling Point | -36.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11 | CAS Common Chemistry |
| InChI Key | InChIKey=QYSGYZVSCZSLHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -147.6 °C | CAS Common Chemistry |
| Name | Perfluoropropane | CAS Common Chemistry |
| Octafluoropropane | CAS Common Chemistry | |
| Heavy Atom Count | 11 | 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 | 2.7462999999999997 | RDKit |
| 2.7463 | RDKit | |
| Molar Refractivity | 17.057000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 187.98722576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 188.02 g/mol. Edit any field — others recompute live.
