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Molecule
1,1′-Oxybis[4-Fluorobenzene]
CAS: 330-93-8 · C12H8F2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 330-93-8
- Molecular Formula
- C12H8F2O
- Molecular Mass
- 206.19 g/mol
Identifiers
CAS Registry Number
330-93-8
SMILES
Fc1ccc(Oc2ccc(F)cc2)cc1
InChI Key
UUKHFGSOCZLVJO-UHFFFAOYSA-N
InChI
InChI=1S/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
Names and Synonyms
- 1,1′-Oxybis[4-Fluorobenzene] Systematic Name
- Benzene, 1,1′-oxybis[4-fluoro- Synonym
- Ether, bis(p-fluorophenyl) Synonym
- 1,1′-Oxybis[4-fluorobenzene] Synonym
- Bis(4-fluorophenyl) ether Synonym
- Bis(p-fluorophenyl) ether Synonym
- 4,4′-Difluorodiphenyl ether Synonym
- NSC 51793 Synonym
- 1-Fluoro-4-(4-fluorophenoxy)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.19 g/mol | CAS Common Chemistry |
| 206.191 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(OC2=CC=C(F)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=UUKHFGSOCZLVJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′-Oxybis[4-fluorobenzene] | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.757100000000002 | RDKit |
| 3.7571 | RDKit | |
| Molar Refractivity | 52.874000000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 206.054321316 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
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.
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MW = 206.19 g/mol. Edit any field — others recompute live.
