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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 Weight:
76.07000000000001 g/mol
Names and Synonyms:
Epifluorohydrin
Synonym
Oxirane, 2-(fluoromethyl)-
Synonym
Propane, 1,2-epoxy-3-fluoro-
Synonym
Epifluorohydrin
Synonym
Oxirane, (fluoromethyl)-
Synonym
2-(Fluoromethyl)oxirane
Synonym
3-Fluoropropene 1,2-oxide
Synonym
1,2-Epoxy-3-fluoropropane
Synonym
(Fluoromethyl)oxirane
Synonym
1-Fluoro-2,3-epoxypropane
Synonym
Oxirane, (fluoromethyl)-, (±)-
Synonym
3-Fluoro-1,2-epoxypropane
Synonym
NSC 21303
Synonym
NSC 88608
Synonym
(±)-2-(Fluoromethyl)oxirane
Synonym
Identifiers:
SMILES:
FCC1CO1
InChI:
InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2
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 | 76.07 g/mol | Legacy Database |
| density | 1.09 g/cm³ | Legacy Database |
| cas-boiling-point | 85.5 °C None | Legacy Database |
| cas-canonical-smile | FCC1OC1 None | Legacy Database |
| cas-density | 1.090 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OIFAHDAXIUURLN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Epifluorohydrin None | Legacy Database |
| LogP | 0.3547 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 76.07000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 76.032443 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 12.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.715000000000002 | RDKit |