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Molecule
1,3,3,3-Tetrafluoropropene
CAS: 1645-83-6 · C3H2F4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1645-83-6
- Molecular Formula
- C3H2F4
- Molecular Mass
- 114.04 g/mol
Identifiers
CAS Registry Number
1645-83-6
SMILES
FC=CC(F)(F)F
InChI Key
CDOOAUSHHFGWSA-UHFFFAOYSA-N
InChI
InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H
Names and Synonyms
- 1,3,3,3-Tetrafluoropropene Systematic Name
- 1-Propene, 1,3,3,3-tetrafluoro- Synonym
- Propene, 1,3,3,3-tetrafluoro- Synonym
- 1,3,3,3-Tetrafluoro-1-propene Synonym
- 1,3,3,3-Tetrafluoropropylene Synonym
- 1,3,3,3-Tetrafluoropropene Synonym
- 1,1,1,3-Tetrafluoro-2-propene Synonym
- HFO 1234ze Synonym
- HFC 1234ze Synonym
- R 1234ze Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.04 g/mol | CAS Common Chemistry |
| 114.04100000000003 g/mol | RDKit | |
| 114.041 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 |
| 2.0319 | RDKit | |
| 2.21 | chempirical lib | |
| Molar Refractivity | 16.303 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 114.009262944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 114.04 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H2F4.
