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Molecule
Pentafluoroethane
CAS: 354-33-6 · C2HF5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 354-33-6
- Molecular Formula
- C2HF5
- Molecular Mass
- 120.02 g/mol
Identifiers
CAS Registry Number
354-33-6
SMILES
FC(F)C(F)(F)F
InChI Key
GTLACDSXYULKMZ-UHFFFAOYSA-N
InChI
InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H
Names and Synonyms
- Pentafluoroethane Synonym
- Ethane, 1,1,1,2,2-pentafluoro- Synonym
- Ethane, pentafluoro- Synonym
- 1,1,1,2,2-Pentafluoroethane Synonym
- Pentafluoroethane Synonym
- R 125 Synonym
- HFC 125 Synonym
- 1,1,2,2,2-Pentafluoroethane Synonym
- F 125 Synonym
- FC 125 Synonym
- Fron 125 Synonym
- HCFC 125 Synonym
- Ecolo Ace 125 Synonym
- Khladon 125 Synonym
- HFA 125 Synonym
- Freon 125 Synonym
- HFO 125 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.02 g/mol | CAS Common Chemistry |
| 120.02000000000001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pentafluoroethane | CAS Common Chemistry |
| Boiling Point | -48.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=GTLACDSXYULKMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -103 °C | CAS Common Chemistry |
| Name | Pentafluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 1.8137999999999999 | RDKit |
| 1.8138 | RDKit | |
| Molar Refractivity | 12.059000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 119.999841132 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 = 120.02 g/mol. Edit any field — others recompute live.
