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CAS 528587-70-4

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Also known as: Unii-4jl6e5qy7s, 4jl6e5qy7s, 528587-70-4, (1s,5r)-1-(3-fluorophenyl)-3-oxabicyclo(3.1.0)hexan-2-one, 3-oxabicyclo(3.1.0)hexan-2-one, 1-(3-fluorophenyl)-, (1s,5r)-, (1s,5r)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one

Molecular Formula

C₁₁H₉FO₂

Molecular Weight

192.19 g/mol

InChI Key

ZIGLZWUYYGXYOO-GZMMTYOYSA-N

FDA UNII

4JL6E5QY7S

1 2D Structure

CAS 528587-70-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one

2.1.2 InChI

InChI=1S/C11H9FO2/c12-9-3-1-2-7(4-9)11-5-8(11)6-14-10(11)13/h1-4,8H,5-6H2/t8-,11+/m0/s1

2.1.3 InChI Key

ZIGLZWUYYGXYOO-GZMMTYOYSA-N

2.2 Other Identifiers

2.2.1 UNII

4JL6E5QY7S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Unii-4jl6e5qy7s

2. 4jl6e5qy7s

3. 528587-70-4

4. (1s,5r)-1-(3-fluorophenyl)-3-oxabicyclo(3.1.0)hexan-2-one

5. 3-oxabicyclo(3.1.0)hexan-2-one, 1-(3-fluorophenyl)-, (1s,5r)-

6. (1s,5r)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one

7. Schembl2116071

8. Ziglzwuyygxyoo-gzmmtyoysa-n

9. Db-130750

10. Q27259759

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉FO₂
Molecular Weight	192.19 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1