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Molecule
Chlorotrifluoromethane
CAS: 75-72-9 · CClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-72-9
- Molecular Formula
- CClF3
- Molecular Mass
- 104.46 g/mol
Identifiers
CAS Registry Number
75-72-9
SMILES
FC(F)(F)Cl
InChI Key
AFYPFACVUDMOHA-UHFFFAOYSA-N
InChI
InChI=1S/CClF3/c2-1(3,4)5
Names and Synonyms
- Chlorotrifluoromethane Common Name
- Methane, chlorotrifluoro- Synonym
- Chlorotrifluoromethane Synonym
- F 13 Synonym
- Freon 13 Synonym
- Arcton 3 Synonym
- Genetron 13 Synonym
- Trifluorochloromethane Synonym
- Trifluoromonochlorocarbon Synonym
- R 13 (refrigerant) Synonym
- Trifluoromethyl chloride Synonym
- Monochlorotrifluoromethane Synonym
- FC 13 Synonym
- Frigen 13 Synonym
- Refrigerant 13 Synonym
- Freon R 13 Synonym
- CFC 13 Synonym
- FKW 13 Synonym
- Khladon 13 Synonym
- R 13 Synonym
- Refrigerant R 13 Synonym
- F 13 (refrigerant) Synonym
- HFC 13 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.46 g/mol | CAS Common Chemistry |
| 104.45800000000001 g/mol | RDKit | |
| 104.458 g/mol | RDKit | |
| 104.455 g/mol | chempirical lib | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorotrifluoromethane | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CClF3/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=AFYPFACVUDMOHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -181 °C | CAS Common Chemistry |
| Name | Chlorotrifluoromethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.7449999999999999 | RDKit |
| 1.745 | RDKit | |
| Molar Refractivity | 11.908 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.96406234 g/mol | RDKit |
| Boiling Point | -81.4 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 104.46 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
