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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 Weight:
134.047 g/mol
Names and Synonyms:
Pentafluoropropane
HCF 245Fa
R 245fa
245fa
1,1,3,3,3-Pentafluoropropane
Enovate 245fa
Enovate 245
Genetron 245fa
Enovate 3000
HFC 245fa
1,1,1,3,3-Pentafluoropropane
Propane, 1,1,1,3,3-pentafluoro-
Identifiers:
SMILES:
FC(F)CC(F)(F)F
InChI:
InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 134.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Pentafluoropropane None | Legacy Database |
| cas-boiling-point | 15.3 °C None | Legacy Database |
| cas-canonical-smile | FC(F)CC(F)(F)F None | Legacy Database |
| cas-inchi | InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MSSNHSVIGIHOJA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1,1,1,3,3-Pentafluoropropane None | Legacy Database |
| wikipedia-name | Pentafluoropropane None | Legacy Database |
| LogP | 2.2039 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.047 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.015491196 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.676000000000002 | RDKit |
