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Molecule
Epifluorohydrin
CAS: 503-09-3 · C3H5FO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 503-09-3
- Molecular Formula
- C3H5FO
- Molecular Mass
- 76.07 g/mol
Identifiers
CAS Registry Number
503-09-3
SMILES
FCC1CO1
InChI Key
OIFAHDAXIUURLN-UHFFFAOYSA-N
InChI
InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.07 g/mol | CAS Common Chemistry |
| 76.07000000000001 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.090 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 76.032443 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 76.07 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
