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Molecule
4-(Trifluoromethyl)-4-Piperidinol
CAS: 373603-69-1 · C6H10F3NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 373603-69-1
- Molecular Formula
- C6H10F3NO
- Molecular Mass
- 169.15 g/mol
Identifiers
CAS Registry Number
373603-69-1
SMILES
OC1(C(F)(F)F)CCNCC1
InChI Key
AXPLSJSIKGZOMF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5(11)1-3-10-4-2-5/h10-11H,1-4H2
Names and Synonyms
- 4-(Trifluoromethyl)-4-Piperidinol Systematic Name
- 4-Piperidinol, 4-(trifluoromethyl)- Synonym
- 4-(Trifluoromethyl)-4-piperidinol Synonym
- 4-Trifluoromethylpiperidin-4-ol Synonym
- 4-Hydroxy-4-trifluoromethylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.15 g/mol | CAS Common Chemistry |
| 169.146 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 169.0714486 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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 = 169.15 g/mol. Edit any field — others recompute live.
