Back to Search
Molecule
1-[3-(Trifluoromethyl)Phenyl]Piperazine
CAS: 15532-75-9 · C11H13F3N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15532-75-9
- Molecular Formula
- C11H13F3N2
- Molecular Mass
- 230.23 g/mol
Identifiers
CAS Registry Number
15532-75-9
SMILES
FC(F)(F)c1cccc(N2CCNCC2)c1
InChI Key
KKIMDKMETPPURN-UHFFFAOYSA-N
InChI
InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
Names and Synonyms
- 1-[3-(Trifluoromethyl)Phenyl]Piperazine Systematic Name
- Piperazine, 1-[3-(trifluoromethyl)phenyl]- Synonym
- N-(3-Trifluoromethylphenyl)piperazine Synonym
- N-(m-Trifluoromethylphenyl)piperazine Synonym
- m-Trifluoromethylphenylpiperazine Synonym
- 4-[3-(Trifluoromethyl)phenyl]piperazine Synonym
- TFMPP Synonym
- 1-(α,α,α-Trifluoro-m-tolyl)piperazine Synonym
- NSC 128882 Synonym
- Trifluoromethylphenylpiperazine Synonym
- 1-(3-(Trifluromethyl)phenyl)piperazine Synonym
- CD 3-3015 Synonym
- Piperazine, 1-(α,α,α-trifluoro-m-tolyl)- Synonym
- 1-[3-(Trifluoromethyl)phenyl]piperazine Synonym
- 1-[m-(Trifluoromethyl)phenyl]piperazine Synonym
- N-(α,α,α-Trifluoro-m-tolyl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.23 g/mol | CAS Common Chemistry |
| 230.23299999999995 g/mol | RDKit | |
| 230.233 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C=1C=CC=C(C1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KKIMDKMETPPURN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[3-(Trifluoromethyl)phenyl]piperazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | 2.1149999999999993 | RDKit |
| 2.115 | RDKit | |
| Molar Refractivity | 56.52670000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 230.103083076 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 230.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13F3N2.
