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Pyrrolidine, 2-(2,5-Difluorophenyl)-, Hydrochloride (1:1), (2R)-
CAS: 1218935-60-4 | C10H12ClF2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1218935-60-4
Molecular Formula:
C10H12ClF2N
Molecular Mass:
219.66 g/mol
Names and Synonyms:
Pyrrolidine, 2-(2,5-Difluorophenyl)-, Hydrochloride (1:1), (2R)-
Pyrrolidine, 2-(2,5-difluorophenyl)-, hydrochloride (1:1), (2R)-
(R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride
(R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride
Identifiers:
SMILES:
Cl.Fc1ccc(F)c([C@H]2CCCN2)c1
InChI:
InChI=1S/C10H11F2N.ClH/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m1./s1
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 | 219.66 g/mol | CAS Common Chemistry |
| 219.66199999999998 g/mol | RDKit | |
| 219.062633504 g/mol | RDKit | |
| Canonical SMILES | Cl.FC1=CC=C(F)C(=C1)C2NCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11F2N.ClH/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XSWCQOVADZHFIJ-HNCPQSOCSA-N | CAS Common Chemistry |
| Name | Pyrrolidine, 2-(2,5-difluorophenyl)-, hydrochloride (1:1), (2R)- | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.8111000000000006 | RDKit |
| Molar Refractivity | 53.58370000000003 | RDKit |
