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Molecule
Pentafluoropropane
CAS: 460-73-1 · C3H3F5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 460-73-1
- Molecular Formula
- C3H3F5
- Molecular Mass
- 134.05 g/mol
Identifiers
CAS Registry Number
460-73-1
SMILES
FC(F)CC(F)(F)F
InChI Key
MSSNHSVIGIHOJA-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2
Names and Synonyms
- Pentafluoropropane Common Name
- Propane, 1,1,1,3,3-pentafluoro- Synonym
- 1,1,1,3,3-Pentafluoropropane Synonym
- HFC 245fa Synonym
- Enovate 3000 Synonym
- Genetron 245fa Synonym
- Enovate 245 Synonym
- Enovate 245fa Synonym
- 1,1,3,3,3-Pentafluoropropane Synonym
- 245fa Synonym
- R 245fa Synonym
- HCF 245Fa Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.05 g/mol | CAS Common Chemistry |
| 134.047 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pentafluoropropane | CAS Common Chemistry |
| Boiling Point | 15.3 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)CC(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MSSNHSVIGIHOJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,3,3-Pentafluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.2039 | RDKit |
| Molar Refractivity | 16.676000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 134.015491196 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 = 134.05 g/mol. Edit any field — others recompute live.
