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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
Names and Synonyms:
Bis(4-Fluorophenyl)Methanol
Benzenemethanol, 4-fluoro-α-(4-fluorophenyl)-
Benzhydrol, 4,4′-difluoro-
4-Fluoro-α-(4-fluorophenyl)benzenemethanol
p,p′-Difluorobenzhydrol
4,4′-Difluorobenzhydrol
4-Fluoro-α-(4-fluorophenyl)benzyl alcohol
Bis(p-fluorophenyl)methanol
Bis(4-fluorophenyl)methanol
Di-p-fluorophenylmethanol
4,4′-Difluorodiphenylcarbinol
4,4′-Difluorodiphenylmethanol
4,4′-Difluorobenzhydryl alcohol
Identifiers:
SMILES:
OC(c1ccc(F)cc1)c1ccc(F)cc1
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
Key Properties
Boiling Point
150-154 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
47.3-47.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.22 g/mol | CAS Common Chemistry |
| 220.218 g/mol | RDKit | |
| 220.06997138 g/mol | RDKit | |
| Boiling Point | 150-154 °C @ Press: 5 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 56.861800000000024 | RDKit |
