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Molecule
N-[4-(Difluoromethoxy)Phenyl]Acetamide
CAS: 22236-11-9 · C9H9F2NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22236-11-9
- Molecular Formula
- C9H9F2NO2
- Molecular Mass
- 201.17 g/mol
Identifiers
CAS Registry Number
22236-11-9
SMILES
CC(O)=Nc1ccc(OC(F)F)cc1
InChI Key
YZAFOMJODXAJQD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13)
Names and Synonyms
- N-[4-(Difluoromethoxy)Phenyl]Acetamide Common Name
- Acetamide, N-[4-(difluoromethoxy)phenyl]- Synonym
- p-Acetanisidide, α,α-difluoro- Synonym
- N-[4-(Difluoromethoxy)phenyl]acetamide Synonym
- N-(4-Difluoromethoxyphenyl)acetamide Synonym
- 4-Difluoromethoxyacetanilide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.17 g/mol | CAS Common Chemistry |
| 201.17199999999997 g/mol | RDKit | |
| 201.172 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC(F)F)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YZAFOMJODXAJQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[4-(Difluoromethoxy)phenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| 41.82 Ų | RDKit | |
| LogP | 2.895900000000001 | RDKit |
| 2.8959 | RDKit | |
| Molar Refractivity | 48.47180000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 201.060134968 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 201.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9F2NO2.
