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Chlorotrifluoropropane
CAS: 460-35-5 | C3H4ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
460-35-5
Molecular Formula:
C3H4ClF3
Molecular Weight:
132.512 g/mol
Names and Synonyms:
Chlorotrifluoropropane
R 253fb
HCFC 253fb
3,3,3-Trifluorochloropropane
3,3,3-Trifluoro-1-chloropropane
1,1,1-Trifluoro-3-chloropropane
1-Chloro-3,3,3-trifluoropropane
3-Chloro-1,1,1-trifluoropropane
Propane, 3-chloro-1,1,1-trifluoro-
Identifiers:
SMILES:
FC(F)(F)CCCl
InChI:
InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 132.51 g/mol | Legacy Database |
| density | 1.33 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorotrifluoropropane None | Legacy Database |
| cas-boiling-point | 45.1 °C None | Legacy Database |
| cas-canonical-smile | FC(F)(F)CCCl None | Legacy Database |
| cas-density | 1.3253 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=ZPIFKCVYZBVZIV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -106.5 °C None | Legacy Database |
| cas-name | 3-Chloro-1,1,1-trifluoropropane None | Legacy Database |
| wikipedia-name | Chlorotrifluoropropane None | Legacy Database |
| LogP | 2.1776 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.512 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.995362468 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 | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.391999999999996 | RDKit |
