Back to Search
2,6-Difluorobenzenemethanol
CAS: 19064-18-7 | C7H6F2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19064-18-7
Molecular Formula:
C7H6F2O
Molecular Weight:
144.11999999999998 g/mol
Names and Synonyms:
2,6-Difluorobenzenemethanol
(2,6-Difluorophenyl)methanol
2,6-Difluorobenzyl alcohol
2,6-Difluorobenzenemethanol
Benzyl alcohol, 2,6-difluoro-
Benzenemethanol, 2,6-difluoro-
Identifiers:
SMILES:
OCc1c(F)cccc1F
InChI:
InChI=1S/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
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
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 144.11999999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 144.038671252 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 1.4571 | RDKit |
molecular_mass | 144.12 g/mol | Legacy Database |
cas-canonical-smile | FC1=CC=CC(F)=C1CO None | Legacy Database |
cas-inchi | InChI=1S/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2 None | Legacy Database |
cas-inchi-key | InChIKey=LVICICZQETYOGS-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 168.5-169 °C None | Legacy Database |
cas-name | 2,6-Difluorobenzenemethanol None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 32.2808 | RDKit |