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4-(Trifluoromethyl)-4-Piperidinol
CAS: 373603-69-1 | C6H10F3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
373603-69-1
Molecular Formula:
C6H10F3NO
Molecular Mass:
169.15 g/mol
Names and Synonyms:
4-(Trifluoromethyl)-4-Piperidinol
4-Piperidinol, 4-(trifluoromethyl)-
4-(Trifluoromethyl)-4-piperidinol
4-Trifluoromethylpiperidin-4-ol
4-Hydroxy-4-trifluoromethylpiperidine
Identifiers:
SMILES:
OC1(C(F)(F)F)CCNCC1
InChI:
InChI=1S/C6H10F3NO/c7-6(8,9)5(11)1-3-10-4-2-5/h10-11H,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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.15 g/mol | CAS Common Chemistry |
| 169.146 g/mol | RDKit | |
| 169.0714486 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1(O)CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10F3NO/c7-6(8,9)5(11)1-3-10-4-2-5/h10-11H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AXPLSJSIKGZOMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Trifluoromethyl)-4-piperidinol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.6632 | RDKit |
| Molar Refractivity | 33.1085 | RDKit |
