2-Fluorodeschloroketamine

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Also known as: 111982-50-4, 2-fluorodeschloroketamine, D57wih0rit, 2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one, Unii-d57wih0rit, 2-fdck

Molecular Formula

C₁₃H₁₆FNO

Molecular Weight

221.27 g/mol

InChI Key

PHFAGYYTDLITTB-UHFFFAOYSA-N

FDA UNII

D57WIH0RIT

1 2D Structure

2-Fluorodeschloroketamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H16FNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3

2.1.3 InChI Key

PHFAGYYTDLITTB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC1(CCCCC1=O)C2=CC=CC=C2F

2.2 Other Identifiers

2.2.1 UNII

D57WIH0RIT

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-fluorodeschloroketamine

2.3.2 Depositor-Supplied Synonyms

1. 111982-50-4

2. 2-fluorodeschloroketamine

3. D57wih0rit

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

5. Unii-d57wih0rit

6. 2-fdck

7. 2-fl-2'-oxo-pcm

8. Schembl2615423

9. Dtxsid001018395

10. Cyclohexanone, 2-(2-fluorophenyl)-2-(methylamino)-

2.4 Create Date

2007-02-08

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	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.1
Heavy Atom Count	16
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1