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1-[3-(Trifluoromethyl)Phenyl]Piperazine
CAS: 15532-75-9 | C11H13F3N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
15532-75-9
Molecular Formula:
C11H13F3N2
Molecular Mass:
230.23 g/mol
Names and Synonyms:
1-[3-(Trifluoromethyl)Phenyl]Piperazine
Piperazine, 1-[3-(trifluoromethyl)phenyl]-
N-(3-Trifluoromethylphenyl)piperazine
N-(m-Trifluoromethylphenyl)piperazine
m-Trifluoromethylphenylpiperazine
4-[3-(Trifluoromethyl)phenyl]piperazine
TFMPP
1-(α,α,α-Trifluoro-m-tolyl)piperazine
NSC 128882
Trifluoromethylphenylpiperazine
1-(3-(Trifluromethyl)phenyl)piperazine
CD 3-3015
Piperazine, 1-(α,α,α-trifluoro-m-tolyl)-
1-[3-(Trifluoromethyl)phenyl]piperazine
1-[m-(Trifluoromethyl)phenyl]piperazine
N-(α,α,α-Trifluoro-m-tolyl)piperazine
Identifiers:
SMILES:
FC(F)(F)c1cccc(N2CCNCC2)c1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 230.23 g/mol | CAS Common Chemistry |
| 230.23299999999995 g/mol | RDKit | |
| 230.103083076 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 |
| LogP | 2.1149999999999993 | RDKit |
| Molar Refractivity | 56.52670000000003 | RDKit |
