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Molecule
Octafluorocyclobutane
CAS: 115-25-3 · C4F8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 115-25-3
- Molecular Formula
- C4F8
- Molecular Mass
- 200.03 g/mol
Identifiers
CAS Registry Number
115-25-3
SMILES
FC1(F)C(F)(F)C(F)(F)C1(F)F
InChI Key
BCCOBQSFUDVTJQ-UHFFFAOYSA-N
InChI
InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10
Names and Synonyms
- Octafluorocyclobutane Synonym
- Cyclobutane, 1,1,2,2,3,3,4,4-octafluoro- Synonym
- R-C 318 Synonym
- FC 318 Synonym
- FKWC 318 Synonym
- R 318 Synonym
- Flon C 318 Synonym
- Fron C 318 Synonym
- C 318 Synonym
- HFC-C 318 Synonym
- Carbon fluoride (C4F8) Synonym
- R 318C Synonym
- PFC-C 318 Synonym
- Cyclobutane, octafluoro- Synonym
- 1,1,2,2,3,3,4,4-Octafluorocyclobutane Synonym
- Perfluorocyclobutane Synonym
- Freon C 318 Synonym
- FC-C 318 Synonym
- Propellant C 318 Synonym
- Octafluorocyclobutane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.03 g/mol | CAS Common Chemistry |
| 200.02799999999996 g/mol | RDKit | |
| 200.028 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octafluorocyclobutane | CAS Common Chemistry |
| Boiling Point | -5.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10 | CAS Common Chemistry |
| InChI Key | InChIKey=BCCOBQSFUDVTJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40.1 °C | CAS Common Chemistry |
| Name | Octafluorocyclobutane | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 2.5412 | RDKit |
| Molar Refractivity | 19.788000000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 199.98722576 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.
External Resources
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MW = 200.03 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4F8.
