chempirical

trans-Bifenthtin

C23H22ClF3O2CAS 83322-02-5422.87 g/mol

Open in Covalent MOL file
OOFFFCl
AlkeneAlkyl halideEsterVinyl halide

Properties

Molecular formula
C23H22ClF3O2
Molar mass
422.87 g/mol
Exact mass
422.1260 Da
logP
6.66Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5
Stereocentres
S, Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
83322-02-5
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl
InChIKey
OMFRMAHOUUJSGP-GUGVIDNXSA-N
InChI
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Bifenthrin, trans

Work with trans-Bifenthtin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bifenthrin82657-04-3Stereoisomer

Similar compounds

Cyhalothrin68085-85-848 % similar Cyhalothrin91465-08-648 % similar Permethrin52645-53-146 % similar Phenothrin26002-80-242 % similar (-)-trans-Phenothrin26046-85-542 % similar Rel-(1R,3R)-3-(2-Chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid72748-35-741 % similar Transfluthrin118712-89-340 % similar Renofluthrin352271-52-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook