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

Hazards

Warning

H226 Flammable liquid and vapor97.5% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

2 names

Benzene, 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)-
Alpha,alpha,beta,beta-Tetrafluoro-2-methylphenetole

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

1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-371 % similar (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 4-(1,1,2,2-Tetrafluoroethoxy)aniline713-62-241 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-440 % 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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