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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 Weight:
104.45800000000001 g/mol
Names and Synonyms:
Chlorotrifluoromethane
HFC 13
F 13 (refrigerant)
Refrigerant R 13
R 13
Khladon 13
FKW 13
CFC 13
Freon R 13
Refrigerant 13
Frigen 13
FC 13
Monochlorotrifluoromethane
Trifluoromethyl chloride
R 13 (refrigerant)
Trifluoromonochlorocarbon
Trifluorochloromethane
Genetron 13
Arcton 3
Freon 13
F 13
Chlorotrifluoromethane
Methane, chlorotrifluoro-
Identifiers:
SMILES:
FC(F)(F)Cl
InChI:
InChI=1S/CClF3/c2-1(3,4)5
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 | 104.45800000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.96406234 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | 1.7449999999999999 | RDKit |
| molecular_mass | 104.46 g/mol | Legacy Database |
| density | 1.30 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorotrifluoromethane None | Legacy Database |
| cas-boiling-point | -81.4 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | FC(F)(F)Cl None | Legacy Database |
| cas-density | 1.3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CClF3/c2-1(3,4)5 None | Legacy Database |
| cas-inchi-key | InChIKey=AFYPFACVUDMOHA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -181 °C None | Legacy Database |
| cas-name | Chlorotrifluoromethane None | Legacy Database |
| wikipedia-name | Chlorotrifluoromethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.908 | RDKit |
