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7-Fluoro-1,3-Dihydro-2H-Indol-2-One
CAS: 71294-03-6 | C8H6FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71294-03-6
Molecular Formula:
C8H6FNO
Molecular Mass:
151.14 g/mol
Names and Synonyms:
7-Fluoro-1,3-Dihydro-2H-Indol-2-One
2H-Indol-2-one, 7-fluoro-1,3-dihydro-
7-Fluoro-1,3-dihydro-2H-indol-2-one
7-Fluorooxindole
7-Fluoro-2-oxindole
7-Fluoro-1,3-dihydroindol-2-one
7-Fluoroindolin-2-one
Identifiers:
SMILES:
OC1=Nc2c(F)cccc2C1
InChI:
InChI=1S/C8H6FNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
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 | 151.14 g/mol | CAS Common Chemistry |
| 151.13999999999996 g/mol | RDKit | |
| 151.043342032 g/mol | RDKit | |
| Canonical SMILES | O=C1NC=2C(F)=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H6FNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=VMUIOEOYZHJLEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 7-Fluoro-1,3-dihydro-2H-indol-2-one | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.9698 | RDKit |
| Molar Refractivity | 39.82780000000002 | RDKit |
