1218935-59-1

1 2D Structure

1218935-59-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1

2.1.3 InChI Key

NCXSNNVYILYEBC-SNVBAGLBSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

RPF7VP5RFX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. (r)-2-(2,5-difluorophenyl)pyrrolidine

2. 1218935-59-1

3. Pyrrolidine, 2-(2,5-difluorophenyl)-, (2r)-

4. Rpf7vp5rfx

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

6. Mfcd07772701

7. Unii-rpf7vp5rfx

8. Schembl932672

9. C10h11f2n

10. Amy12406

11. Zinc4299178

12. Akos015933481

13. Ac-30674

14. Ds-11702

15. Cs-0055107

16. I11001

2.4 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁F₂N
Molecular Weight	183.20 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
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	13
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	1

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