Rel-(1R,3R)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

C₉H₁₀ClF₃O₂CAS 72748-35-7242.62 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Carboxylic acid Vinyl halide

Properties

Molecular formula: C₉H₁₀ClF₃O₂
Molar mass: 242.62 g/mol
Exact mass: 242.0321 Da
logP: 3.03Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

72748-35-7

SMILES

CC1(C)[C@H](C(=O)O)[C@@H]1C=C(Cl)C(F)(F)F

InChIKey

SPVZAYWHHVLPBN-APVHJGEINA-N

InChI

InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/t4-,6-/s2

Weigh it out

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

Names and synonyms

3 names

Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-, (1R,3R)-rel-
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cis-
Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1R,3R)-rel-

Work with Rel-(1R,3R)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

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

Similar compounds

(1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid55701-03-665 % similar Permethric acid55701-05-865 % similar Bifenthrin82657-04-341 % similar 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl chloride52314-67-740 % similar Cyhalothrin68085-85-840 % similar Cyhalothrin91465-08-640 % similar Chlorendic acid115-28-632 % similar 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook