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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
Names and Synonyms:
Octafluorocyclobutane
Cyclobutane, 1,1,2,2,3,3,4,4-octafluoro-
R-C 318
FC 318
FKWC 318
R 318
Flon C 318
Fron C 318
C 318
HFC-C 318
Carbon fluoride (C4F8)
R 318C
PFC-C 318
Cyclobutane, octafluoro-
1,1,2,2,3,3,4,4-Octafluorocyclobutane
Perfluorocyclobutane
Freon C 318
FC-C 318
Propellant C 318
Octafluorocyclobutane
Identifiers:
SMILES:
FC1(F)C(F)(F)C(F)(F)C1(F)F
InChI:
InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10
Key Properties
Boiling Point
-5.9 °C
CAS Common Chemistry
Melting Point
-40.1 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.03 g/mol | CAS Common Chemistry |
| 200.02799999999996 g/mol | RDKit | |
| 199.98722576 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 | RDKit |
