CAS 1218935-60-4

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Also known as: 1218935-60-4, Gq2kxx5u2n, (r)-2-(2,5-difluorophenyl)pyrrolidine hcl, Pyrrolidine, 2-(2,5-difluorophenyl)-, hydrochloride (1:1), (2r)-, (2r)-2-(2,5-difluorophenyl)pyrrolidine;hydrochloride, (2r)-2-(2,5-difluorophenyl)pyrrolidine hydrochloride

Molecular Formula

C₁₀H₁₂ClF₂N

Molecular Weight

219.66 g/mol

InChI Key

XSWCQOVADZHFIJ-HNCPQSOCSA-N

FDA UNII

GQ2KXX5U2N

1 2D Structure

CAS 1218935-60-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(2,5-difluorophenyl)pyrrolidine;hydrochloride

2.1.2 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

2.1.3 InChI Key

XSWCQOVADZHFIJ-HNCPQSOCSA-N

2.1.4 Canonical SMILES

C1CC(NC1)C2=C(C=CC(=C2)F)F.Cl

2.1.5 Isomeric SMILES

C1C[C@@H](NC1)C2=C(C=CC(=C2)F)F.Cl

2.2 Other Identifiers

2.2.1 UNII

GQ2KXX5U2N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1218935-60-4

2. Gq2kxx5u2n

3. (r)-2-(2,5-difluorophenyl)pyrrolidine Hcl

4. Pyrrolidine, 2-(2,5-difluorophenyl)-, Hydrochloride (1:1), (2r)-

5. (2r)-2-(2,5-difluorophenyl)pyrrolidine;hydrochloride

6. (2r)-2-(2,5-difluorophenyl)pyrrolidine Hydrochloride

7. 2-(2,5-difluorophenyl)pyrrolidine Hydrochloride, (r)-

8. Mfcd08751413

9. Xswcqovadzhfij-hncpqsocsa-n

10. Unii-gq2kxx5u2n

11. (2r)-2-(2,5-difluorophenyl)pyrrolidine Hcl

12. Schembl15017144

13. Bcp25200

14. Cs-m3733

15. Am9006

16. Akos025395713

17. Ac-33566

18. Y10209

19. A910039

20. (r)-2-(2,5-difluorophenyl)pyrrolidinehydrochloride

21. (r)-2-(2,5-difluorophenyl) Pyrrolidine Hydrochloride

22. (r)-2-(2, 5-difluorophenyl) Pyrrolidine Hydrochloride

2.4 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂ClF₂N
Molecular Weight	219.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12
Heavy Atom Count	14
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2