1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]oxirane

2.1.2 InChI

InChI=1S/C10H9F3O2/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-15-9/h1-4,9H,5-6H2/t9-/m1/s1

2.1.3 InChI Key

GYOFXQNABVOHIB-SECBINFHSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 256372-58-4

2. Mfcd09027623

3. (2s)-2-[[4-(trifluoromethyl)phenoxy]methyl]oxirane

4. Oxirane,2-[[4-(trifluoromethyl)phenoxy]methyl]-, (2s)-

5. (s)-2-[[(4-trifluoromethylphenyl)oxy]methyl]oxirane

6. (s)-4-(trifluoromethyl)-phenyl Glycidyl Ether

7. (2s)-2-{[4-(trifluoromethyl)phenoxy]methyl}oxirane

8. Schembl7966123

9. Oxirane, [[4-(trifluoromethyl)phenoxy]methyl]-, (2s)-

10. Gyofxqnabvohib-secbinfhsa-n

11. Cs-0106077

12. N16927

13. F094506

14. A1-09111

2.3 Create Date

2009-05-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉F₃O₂
Molecular Weight	218.17 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	21.8
Heavy Atom Count	15
Formal Charge	0
Complexity	209
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

(S)-2-((4-(Trifluoromethyl)phenoxy)methyl)oxirane