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4-Fluorophenol
CAS: 371-41-5 | C6H5FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
371-41-5
Molecular Formula:
C6H5FO
Molecular Mass:
112.10 g/mol
Names and Synonyms:
4-Fluorophenol
Phenol, 4-fluoro-
Phenol, p-fluoro-
4-Fluorophenol
p-Fluorophenol
4-Hydroxyphenyl fluoride
NSC 10295
Identifiers:
SMILES:
Oc1ccc(F)cc1
InChI:
InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Key Properties
Boiling Point
185.5 °C
CAS Common Chemistry
Melting Point
48 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.10 g/mol | CAS Common Chemistry |
| 112.103 g/mol | RDKit | |
| 112.032443 g/mol | RDKit | |
| Boiling Point | 185.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H | CAS Common Chemistry |
| InChI Key | InChIKey=RHMPLDJJXGPMEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48 °C | CAS Common Chemistry |
| Name | 4-Fluorophenol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.5312999999999999 | RDKit |
| Molar Refractivity | 28.064799999999995 | RDKit |
