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Molecule
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
Identifiers
CAS Registry Number
677-21-4
SMILES
C=CC(F)(F)F
InChI Key
FDMFUZHCIRHGRG-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2
Names and Synonyms
- 3,3,3-Trifluoropropene Synonym
- 1-Propene, 3,3,3-trifluoro- Synonym
- Propene, 3,3,3-trifluoro- Synonym
- 3,3,3-Trifluoro-1-propene Synonym
- 3,3,3-Trifluoropropylene Synonym
- 1,1,1-Trifluoropropene Synonym
- 3,3,3-Trifluoropropene Synonym
- (Trifluoromethyl)ethylene Synonym
- 1,1,1-Trifluoro-2-propene Synonym
- R 1243 Synonym
- (Trifluoromethyl)ethene Synonym
- HFC 1243zf Synonym
- HFO 1243zf Synonym
- R 1243zf Synonym
- (Perfluoromethyl)ethylene Synonym
- 1243zf Synonym
- HFO 1343zf Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.05 g/mol | CAS Common Chemistry |
| 96.051 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 96.018684756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 96.05 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
