CAS 120068-37-3|Fipronil|Fipronil|fipronil|Fluocyanobenpyrazole|Termidor|5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile|Fipronil|氟虫腈/锐劲...

基本信息

化学结构

分子式

C₁₂H₄Cl₂F₆N₄OS

分子量

437.1477792

精确质量

435.93870645

电荷

InChI

InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2

InChIKey

ZOCSXAVNDGMNBV-UHFFFAOYSA-N

Canonic Smiles

N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F

Isomeric Smiles

FC(F)(F)S(=O)c1c(C#N)nn(c2c(Cl)cc(cc2Cl)C(F)(F)F)c1N

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.4891367

LogD (pH = 7.4)

4.489139

Log P

4.489139

摩尔折射率

83.6635

极化性

30.806074

极化表面积

84.7

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

FipronilFipronilFluocyanobenpyrazoleTermidorFipronil氟虫腈/锐劲特RegentFrontline Top SpotFrontline SprayGrenade MCTopChoice1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-amino-4-(trifluoromethylsulfinyl)pyrazoleMaxforce FC Select Roach Killer Bait Gel5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrileOver'n OutGranedo MCRegent TSTermidor 80WGFrontline Spot-onMaxforce FC(+/-)-FipronilGoliath gel

IUPAC传统名

fipronil

IUPAC标准名

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile

名称和标识

数据登录号

CHEMBL

101326

CHEBI ID

5063

ATC码

QP53AX15