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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 Weight:
114.04100000000003 g/mol
Names and Synonyms:
1,3,3,3-Tetrafluoropropene
HFC 1234ze
R 1234ze
1,1,1,3-Tetrafluoro-2-propene
HFO 1234ze
1,3,3,3-Tetrafluoropropene
1,3,3,3-Tetrafluoropropylene
1,3,3,3-Tetrafluoro-1-propene
Propene, 1,3,3,3-tetrafluoro-
1-Propene, 1,3,3,3-tetrafluoro-
Identifiers:
SMILES:
FC=CC(F)(F)F
InChI:
InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.04100000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.009262944 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.0319000000000003 | RDKit |
| molecular_mass | 114.04 g/mol | Legacy Database |
| cas-boiling-point | -16 °C None | Legacy Database |
| cas-canonical-smile | FC=CC(F)(F)F None | Legacy Database |
| cas-inchi | InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H None | Legacy Database |
| cas-inchi-key | InChIKey=CDOOAUSHHFGWSA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1,3,3,3-Tetrafluoropropene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.303 | RDKit |
