CAS 921938-83-2|Perfluorophenyl 3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate 97%|3,4-Dihydro-4-methyl-7-[(pentafluorophenoxy)carbonyl]-2H-pyrido[3,2-b][1,4]oxazine|pentafluorophen...

General Information

Structure

Molecular Formula

C₁₅H₉F₅N₂O₃

Molecular Mass

360.235576

Exact Mass

360.05333326

Charge

InChI

InChI=1S/C15H9F5N2O3/c1-22-2-3-24-7-4-6(5-21-14(7)22)15(23)25-13-11(19)9(17)8(16)10(18)12(13)20/h4-5H,2-3H2,1H3

InChIKey

WEFDLXWSZQWZNH-UHFFFAOYSA-N

Canonic Smiles

O=C(c1cnc2c(c1)OCCN2C)Oc1c(F)c(F)c(c(c1F)F)F

Isomeric Smiles

n1cc(cc2c1N(CCO2)C)C(=O)Oc1c(c(c(c(c1F)F)F)F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.4842875

LogD (pH = 7.4)

3.5035717

Log P

3.5038238

Molar Refractivity

76.0223

Polarizability

27.260477

Polar Surface Area

51.66

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3,4-Dihydro-4-methyl-7-[(pentafluorophenoxy)carbonyl]-2H-pyrido[3,2-b][1,4]oxazinePerfluorophenyl 3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate 97%Pentafluorophenyl 3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylatepentafluorophenyl 4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

IUPAC Traditional name

pentafluorophenyl 4-methyl-2H,3H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

IUPAC name

pentafluorophenyl 4-methyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD09817508

CAS Number

921938-83-2

PubChem CID

24229652