Back to Search
Chlorodifluoroacetamide
CAS: 354-28-9 | C2H2ClF2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
354-28-9
Molecular Formula:
C2H2ClF2NO
Molecular Mass:
129.49 g/mol
Names and Synonyms:
Chlorodifluoroacetamide
Acetamide, 2-chloro-2,2-difluoro-
2-Chloro-2,2-difluoroacetamide
Chlorodifluoroacetamide
NSC 9448
Identifiers:
SMILES:
N=C(O)C(F)(F)Cl
InChI:
InChI=1S/C2H2ClF2NO/c3-2(4,5)1(6)7/h(H2,6,7)
Key Properties
Boiling Point
93 °C @ Press: 18 Torr
CAS Common Chemistry
Melting Point
78.5 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.49 g/mol | CAS Common Chemistry |
| 129.493 g/mol | RDKit | |
| 128.979297804 g/mol | RDKit | |
| Boiling Point | 93 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2ClF2NO/c3-2(4,5)1(6)7/h(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=PSAKKOKLSDIKEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78.5 °C | CAS Common Chemistry |
| Name | Chlorodifluoroacetamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 1.35327 | RDKit |
| Molar Refractivity | 21.1555 | RDKit |
