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3,3,3-Trifluoropropene
CAS: 677-21-4 | C3H3F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
677-21-4
Molecular Formula:
C3H3F3
Molecular Mass:
96.05 g/mol
Names and Synonyms:
3,3,3-Trifluoropropene
1-Propene, 3,3,3-trifluoro-
Propene, 3,3,3-trifluoro-
3,3,3-Trifluoro-1-propene
3,3,3-Trifluoropropylene
1,1,1-Trifluoropropene
3,3,3-Trifluoropropene
(Trifluoromethyl)ethylene
1,1,1-Trifluoro-2-propene
R 1243
(Trifluoromethyl)ethene
HFC 1243zf
HFO 1243zf
R 1243zf
(Perfluoromethyl)ethylene
1243zf
HFO 1343zf
Identifiers:
SMILES:
C=CC(F)(F)F
InChI:
InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2
Key Properties
Boiling Point
-17 °C
CAS Common Chemistry
Density
1.00 g/cm³
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 | 96.05 g/mol | CAS Common Chemistry |
| 96.051 g/mol | RDKit | |
| 96.018684756 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9961 g/cm3 | CAS Common Chemistry | |
| Boiling Point | -17 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FDMFUZHCIRHGRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3,3-Trifluoropropene | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 1.7347 | RDKit |
| Molar Refractivity | 16.252000000000002 | RDKit |
