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2-(4-Fluorophenyl)Oxirane
CAS: 18511-62-1 | C8H7FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18511-62-1
Molecular Formula:
C8H7FO
Molecular Mass:
138.14 g/mol
Names and Synonyms:
2-(4-Fluorophenyl)Oxirane
Oxirane, 2-(4-fluorophenyl)-
Benzene, 1-(epoxyethyl)-4-fluoro-
Oxirane, (4-fluorophenyl)-
2-(4-Fluorophenyl)oxirane
(p-Fluorophenyl)oxirane
p-Fluorostyrene oxide
2-(p-Fluorophenyl)oxirane
4-Fluorostyrene oxide
(±)-(4-Fluorophenyl)oxirane
4-Fluorophenylstyrene oxide
4-Fluorostyrene epoxide
4-Fluorophenyloxirane
Identifiers:
SMILES:
Fc1ccc(C2CO2)cc1
InChI:
InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
Key Properties
Boiling Point
63-64 °C @ Press: 0.5 Torr
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 | 138.14 g/mol | CAS Common Chemistry |
| 138.141 g/mol | RDKit | |
| 138.048093064 g/mol | RDKit | |
| Boiling Point | 63-64 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=C(C=C1)C2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ICVNPQMUUHPPOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(4-Fluorophenyl)oxirane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 1.897 | RDKit |
| Molar Refractivity | 35.093 | RDKit |
