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Pentafluoropropane
CAS: 460-73-1 | C3H3F5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
460-73-1
Molecular Formula:
C3H3F5
Molecular Mass:
134.05 g/mol
Names and Synonyms:
Pentafluoropropane
Propane, 1,1,1,3,3-pentafluoro-
1,1,1,3,3-Pentafluoropropane
HFC 245fa
Enovate 3000
Genetron 245fa
Enovate 245
Enovate 245fa
1,1,3,3,3-Pentafluoropropane
245fa
R 245fa
HCF 245Fa
Identifiers:
SMILES:
FC(F)CC(F)(F)F
InChI:
InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2
Key Properties
Boiling Point
15.3 °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 | 134.05 g/mol | CAS Common Chemistry |
| 134.047 g/mol | RDKit | |
| 134.015491196 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 |
| 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 | RDKit |
