(R)-fipronil (CHEBI:83395)

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ChEBI Name	(R)-fipronil

ChEBI ID	CHEBI:83395

ChEBI ASCII Name	(R)-fipronil

Definition	A 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has R configuration at the sulfoxide.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H4Cl2F6N4OS

Net Charge

Average Mass

437.14800

Monoisotopic Mass

435.93871

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/t26-/m1/s1

InChIKey

ZOCSXAVNDGMNBV-AREMUKBSSA-N

SMILES

Nc1c([S@@+]([O-])C(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	(R)-fipronil (CHEBI:83395) is a 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile (CHEBI:83394) (R)-fipronil (CHEBI:83395) is enantiomer of (S)-fipronil (CHEBI:83396)

Incoming	fipronil (CHEBI:5063) has part (R)-fipronil (CHEBI:83395) (S)-fipronil (CHEBI:83396) is enantiomer of (R)-fipronil (CHEBI:83395)

IUPAC Name

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

Registry Number	Type	Source
11246529	Reaxys Registry Number	Reaxys

Last Modified

23 October 2014