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Molecule
7-Fluoro-1,3-Dihydro-2H-Indol-2-One
CAS: 71294-03-6 · C8H6FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71294-03-6
- Molecular Formula
- C8H6FNO
- Molecular Mass
- 151.14 g/mol
Identifiers
CAS Registry Number
71294-03-6
SMILES
OC1=Nc2c(F)cccc2C1
InChI Key
VMUIOEOYZHJLEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
Names and Synonyms
- 7-Fluoro-1,3-Dihydro-2H-Indol-2-One Synonym
- 2H-Indol-2-one, 7-fluoro-1,3-dihydro- Synonym
- 7-Fluoro-1,3-dihydro-2H-indol-2-one Synonym
- 7-Fluorooxindole Synonym
- 7-Fluoro-2-oxindole Synonym
- 7-Fluoro-1,3-dihydroindol-2-one Synonym
- 7-Fluoroindolin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.14 g/mol | CAS Common Chemistry |
| 151.13999999999996 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 151.043342032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 151.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H6FNO.
