Transfluthrin

Details

• Internal ID: 6e5e794b-fb56-4a7f-8b6a-d5f5df1b121d
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls
• IUPAC Name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• SMILES (Canonical): CC1(C(C1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C
• SMILES (Isomeric): CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C
• InChI: InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1
• InChI Key: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
• Popularity: 92 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂Cl₂F₄O₂
• Molecular Weight: 371.20 g/mol
• Exact Mass: 370.0150477 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 5.00

Synonyms

• 118712-89-3
• Transfluthrin [ISO]
• QWL3SKA6EG
• DTXSID4046812
• CHEBI:32253
• Transfluthrin (JAN)
• (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methyl ester, (1R,3S)-
• Transfluthrin 10 microg/mL in Cyclohexane
• TRANSFLUTHRIN [JAN]
• Bayothrin
• (2,3,5,6-Tetrafluorophenyl)methyl(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
• 2,3,5,6-tetrafluorobenzyl (+)-(1R-trans)-2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate
• Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methylester, (1R,3S)-
• 2,3,5,6-tetrafluorobenzyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
• UNII-QWL3SKA6EG
• Benfluthrin
• NCGC00181025-01
• SCHEMBL26844
• CHEMBL3184657
• DTXCID2026812
• DDVNRFNDOPPVQJ-HQJQHLMTSA-N
• 2,3,5,6-Tetrafluorobenzyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylate
• Tox21_112675
• MFCD11045989
• AKOS015899270
• DB15117
• HY-W075176
• CAS-118712-89-3
• CS-0110699
• D01932
• Transfluthrin, PESTANAL(R), analytical standard
• Q418421
• (2,3,5,6-TETRAFLUOROPHENYL) METHYL (1R)-TRANS-3-(2,2-DICHLOROVINYL)-2,2-DIMETHYLCYCLOPROPANE-CARBOXYLATE
• 2,3,5,6-tetrafluorobenzyl (1r)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
• CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-, (2,3,5,6-TETRAFLUOROPHENYL)METHYL ESTER, (1R-TRANS)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.75%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.46%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.97%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.96%	86.33%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.92%	82.69%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.58%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.61%	99.17%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	87.51%	80.00%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	84.17%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	83.34%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.30%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	81.07%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.56%	97.25%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 656612
• LOTUS: LTS0081725
• wikiData: Q418421