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Molecule
Bis(4-Fluorophenyl)Methanol
CAS: 365-24-2 · C13H10F2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 365-24-2
- Molecular Formula
- C13H10F2O
- Molecular Mass
- 220.22 g/mol
Identifiers
CAS Registry Number
365-24-2
SMILES
OC(c1ccc(F)cc1)c1ccc(F)cc1
InChI Key
WCTZPQWLFWZYJE-UHFFFAOYSA-N
InChI
InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
Names and Synonyms
- Bis(4-Fluorophenyl)Methanol Common Name
- Benzenemethanol, 4-fluoro-α-(4-fluorophenyl)- Synonym
- Benzhydrol, 4,4′-difluoro- Synonym
- 4-Fluoro-α-(4-fluorophenyl)benzenemethanol Synonym
- p,p′-Difluorobenzhydrol Synonym
- 4,4′-Difluorobenzhydrol Synonym
- 4-Fluoro-α-(4-fluorophenyl)benzyl alcohol Synonym
- Bis(p-fluorophenyl)methanol Synonym
- Bis(4-fluorophenyl)methanol Synonym
- Di-p-fluorophenylmethanol Synonym
- 4,4′-Difluorodiphenylcarbinol Synonym
- 4,4′-Difluorodiphenylmethanol Synonym
- 4,4′-Difluorobenzhydryl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.22 g/mol | CAS Common Chemistry |
| 220.218 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1)C(O)C2=CC=C(F)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H | CAS Common Chemistry |
| InChI Key | InChIKey=WCTZPQWLFWZYJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47.3-47.5 °C | CAS Common Chemistry |
| Name | Bis(4-fluorophenyl)methanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.0465000000000018 | RDKit |
| 3.0465 | RDKit | |
| 2.97 | chempirical lib | |
| Molar Refractivity | 56.861800000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 220.06997138 g/mol | RDKit |
| Boiling Point | 150-154 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 220.22 g/mol. Edit any field — others recompute live.
