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1-Fluoropentane
CAS: 592-50-7 | C5H11F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
592-50-7
Molecular Formula:
C5H11F
Molecular Weight:
90.141 g/mol
Names and Synonyms:
1-Fluoropentane
Synonym
Pentane, 1-fluoro-
Synonym
1-Fluoropentane
Synonym
Pentyl fluoride
Synonym
n-Amyl fluoride
Synonym
Identifiers:
SMILES:
CCCCCF
InChI:
InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 90.14 g/mol | Legacy Database |
| density | 0.80 g/cm³ | Legacy Database |
| cas-boiling-point | 62.8 °C None | Legacy Database |
| cas-canonical-smile | FCCCCC None | Legacy Database |
| cas-density | 0.7960 g/cm3 @ Temp: 10.5 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OEPRBXUJOQLYID-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -120 °C None | Legacy Database |
| cas-name | 1-Fluoropentane None | Legacy Database |
| LogP | 2.1460999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.141 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.084478572 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.49999999999999 | RDKit |