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Molecule
Poly(Difluoromethylene), Α-Fluoro-Ω-(2-Hydroxyethyl)-
CAS: 65530-60-1 · C3H5F3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 65530-60-1
- Molecular Formula
- C3H5F3O
- Molecular Mass
- 114.07 g/mol
Identifiers
CAS Registry Number
65530-60-1
SMILES
OCCC(F)(F)F
InChI Key
HDBGBTNNPRCVND-UHFFFAOYSA-N
InChI
InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2
Names and Synonyms
- Poly(Difluoromethylene), Α-Fluoro-Ω-(2-Hydroxyethyl)- Synonym
- Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.07 g/mol | CAS Common Chemistry |
| 114.06600000000002 g/mol | RDKit | |
| 114.066 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HDBGBTNNPRCVND-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)- | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.9311 | RDKit |
| Molar Refractivity | 17.7578 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.02924944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 114.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5F3O.
