1-Methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene

C₉H₈F₄OCAS 42145-66-4208.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₈F₄O
Molar mass: 208.16 g/mol
Exact mass: 208.0511 Da
logP: 3.23Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

42145-66-4

SMILES

Cc1ccccc1OC(F)(F)C(F)F

InChIKey

OHXFFMAUQJFAAF-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3

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Names and synonyms

1 names

Benzene, 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)-

Work with 1-Methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene

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

(1,1,2,2-Tetrafluoroethoxy)benzene350-57-253 % similar 1-Nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene28202-31-550 % similar 2-Methylanisole578-58-544 % similar Tris(2-methylphenyl) phosphite2622-08-442 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-941 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-440 % similar O-Cresyl glycidyl ether2210-79-939 % similar Tricresyl phosphate78-30-839 % similar

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

Same formula

1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene1737-10-6 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-7

Elsewhere

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