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(-)-1-(4-Fluorophenyl)Ethanol
CAS: 101219-73-2 | C8H9FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101219-73-2
Molecular Formula:
C8H9FO
Molecular Mass:
140.16 g/mol
Names and Synonyms:
(-)-1-(4-Fluorophenyl)Ethanol
Benzenemethanol, 4-fluoro-α-methyl-, (αS)-
Benzenemethanol, 4-fluoro-α-methyl-, (S)-
(αS)-4-Fluoro-α-methylbenzenemethanol
(S)-1-(4-Fluorophenyl)ethanol
S-4-Fluoro-α-methylbenzyl alcohol
(-)-1-(4-Fluorophenyl)ethanol
(-)-1-(p-Fluorophenyl)ethanol
(S)-1-(4-Fluorophenyl)-1-ethanol
(1S)-1-(4-Fluorophenyl)ethan-1-ol
Identifiers:
SMILES:
C[C@H](O)c1ccc(F)cc1
InChI:
InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1
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 | 140.16 g/mol | CAS Common Chemistry |
| 140.15699999999998 g/mol | RDKit | |
| 140.063743128 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PSDSORRYQPTKSV-LURJTMIESA-N | CAS Common Chemistry |
| Name | (-)-1-(4-Fluorophenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.8789999999999998 | RDKit |
| Molar Refractivity | 37.03380000000001 | RDKit |
