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Epifluorohydrin
CAS: 503-09-3 | C3H5FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
503-09-3
Molecular Formula:
C3H5FO
Molecular Mass:
76.07 g/mol
Names and Synonyms:
Epifluorohydrin
Oxirane, 2-(fluoromethyl)-
Propane, 1,2-epoxy-3-fluoro-
Epifluorohydrin
Oxirane, (fluoromethyl)-
2-(Fluoromethyl)oxirane
3-Fluoropropene 1,2-oxide
1,2-Epoxy-3-fluoropropane
(Fluoromethyl)oxirane
1-Fluoro-2,3-epoxypropane
Oxirane, (fluoromethyl)-, (±)-
3-Fluoro-1,2-epoxypropane
NSC 21303
NSC 88608
(±)-2-(Fluoromethyl)oxirane
Identifiers:
SMILES:
FCC1CO1
InChI:
InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2
Key Properties
Boiling Point
85.5 °C
CAS Common Chemistry
Density
1.09 g/cm³
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 | 76.07 g/mol | CAS Common Chemistry |
| 76.07000000000001 g/mol | RDKit | |
| 76.032443 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.090 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 85.5 °C | CAS Common Chemistry |
| Canonical SMILES | FCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OIFAHDAXIUURLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Epifluorohydrin | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.3547 | RDKit |
| Molar Refractivity | 15.715000000000002 | RDKit |
