1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one

2.1.2 InChI

InChI=1S/C13H16FNO/c1-15-13(9-3-2-4-12(13)16)10-5-7-11(14)8-6-10/h5-8,15H,2-4,9H2,1H3/t13-/m1/s1

2.1.3 InChI Key

GLHWPYBETIKGHM-CYBMUJFWSA-N

2.2 Other Identifiers

2.2.1 UNII

S2MGG2PC5K

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2881017-49-6

2. Blixeprodil [inn]

3. S2mgg2pc5k

4. Orb3028533

5. Schembl23595485

6. Bdbm695921

7. Us20240300886, Compound 2r

8. (2r)-2-(4-fluorophenyl)-2-(methylamino)cyclohexanone

9. (2r)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one

10. (r)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one

11. Cyclohexanone, 2-(4-fluorophenyl)-2-(methylamino)-, (2r)-

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆FNO
Molecular Weight	221.27 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	29.1
Heavy Atom Count	16
Formal Charge	0
Complexity	261
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

Blixeprodil