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1,3,3,3-Tetrafluoropropene
CAS: 1645-83-6 | C3H2F4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1645-83-6
Molecular Formula:
C3H2F4
Molecular Mass:
114.04 g/mol
Names and Synonyms:
1,3,3,3-Tetrafluoropropene
1-Propene, 1,3,3,3-tetrafluoro-
Propene, 1,3,3,3-tetrafluoro-
1,3,3,3-Tetrafluoro-1-propene
1,3,3,3-Tetrafluoropropylene
1,3,3,3-Tetrafluoropropene
1,1,1,3-Tetrafluoro-2-propene
HFO 1234ze
HFC 1234ze
R 1234ze
Identifiers:
SMILES:
FC=CC(F)(F)F
InChI:
InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H
Key Properties
Boiling Point
-16 °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 | 114.04 g/mol | CAS Common Chemistry |
| 114.04100000000003 g/mol | RDKit | |
| 114.009262944 g/mol | RDKit | |
| Boiling Point | -16 °C | CAS Common Chemistry |
| Canonical SMILES | FC=CC(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=CDOOAUSHHFGWSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3,3,3-Tetrafluoropropene | 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 | 2.0319000000000003 | RDKit |
| Molar Refractivity | 16.303 | RDKit |
