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Molecule
Perfluorocyclopentene
CAS: 559-40-0 · C5F8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 559-40-0
- Molecular Formula
- C5F8
- Molecular Mass
- 212.04 g/mol
Identifiers
CAS Registry Number
559-40-0
SMILES
FC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChI Key
YBMDPYAEZDJWNY-UHFFFAOYSA-N
InChI
InChI=1S/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
Names and Synonyms
- Perfluorocyclopentene Synonym
- Cyclopentene, 1,2,3,3,4,4,5,5-octafluoro- Synonym
- Cyclopentene, octafluoro- Synonym
- 1,2,3,3,4,4,5,5-Octafluorocyclopentene Synonym
- Perfluorocyclopentene Synonym
- 1,2,3,3,4,4,5,5-Octafluoro-1-cyclopentene Synonym
- Octafluorocyclopentene Synonym
- Flon C 1418 Synonym
- Fron C 1418 Synonym
- Zeorora ZFL 58 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.04 g/mol | CAS Common Chemistry |
| 212.03899999999996 g/mol | RDKit | |
| 212.039 g/mol | RDKit | |
| Boiling Point | 33-35 °C | CAS Common Chemistry |
| Canonical SMILES | FC1=C(F)C(F)(F)C(F)(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9 | CAS Common Chemistry |
| InChI Key | InChIKey=YBMDPYAEZDJWNY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perfluorocyclopentene | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 3.0564999999999998 | RDKit |
| 3.0565 | RDKit | |
| Molar Refractivity | 24.083000000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 211.98722576 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 = 212.04 g/mol. Edit any field — others recompute live.
