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4-(Trifluoromethyl)Piperidine
CAS: 657-36-3 | C6H10F3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
657-36-3
Molecular Formula:
C6H10F3N
Molecular Weight:
153.147 g/mol
Names and Synonyms:
4-(Trifluoromethyl)Piperidine
Piperidine, 4-(trifluoromethyl)-
4-(Trifluoromethyl)piperidine
Identifiers:
SMILES:
FC(F)(F)C1CCNCC1
InChI:
InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 153.147 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.07653398 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 12.03 Ų | RDKit |
| Physical Properties | LogP | 1.5482999999999998 | RDKit |
| molecular_mass | 153.15 g/mol | Legacy Database | |
| cas-boiling-point | 133 °C | Legacy Database | |
| cas-canonical-smile | FC(F)(F)C1CCNCC1 | Legacy Database | |
| cas-inchi | InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=RDRQUUWCJTYHCT-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 4-(Trifluoromethyl)piperidine | Legacy Database | |
| Molar | Molar Refractivity | 31.64869999999999 | RDKit |
