Back to Search
Molecule
4,4'-Difluorobenzophenone
CAS: 345-92-6 · C13H8F2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 345-92-6
- Molecular Formula
- C13H8F2O
- Molecular Mass
- 218.20 g/mol
Identifiers
CAS Registry Number
345-92-6
SMILES
O=C(c1ccc(F)cc1)c1ccc(F)cc1
InChI Key
LSQARZALBDFYQZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
Names and Synonyms
- 4,4'-Difluorobenzophenone Synonym
- Methanone, bis(4-fluorophenyl)- Synonym
- Benzophenone, 4,4′-difluoro- Synonym
- Bis(4-fluorophenyl)methanone Synonym
- 4,4′-Difluorobenzophenone Synonym
- p,p′-Difluorobenzophenone Synonym
- Bis(4-fluorophenyl) ketone Synonym
- Di-p-fluorophenyl ketone Synonym
- Bis(p-fluorophenyl) ketone Synonym
- NSC 51800 Synonym
- 4,4′-Difluorodiphenyl ketone Synonym
- 4,4′-Difluorodiphenylmethanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.20 g/mol | CAS Common Chemistry |
| 218.202 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Difluorobenzophenone | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(F)C=C1)C2=CC=C(F)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=LSQARZALBDFYQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | 4,4′-Difluorobenzophenone | CAS Common Chemistry |
| 4,4'-Difluorobenzophenone | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.195800000000002 | RDKit |
| 3.1958 | RDKit | |
| Molar Refractivity | 56.232500000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 218.054321316 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
Convert
Quick conversion
MW = 218.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H8F2O.
