1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene

C₉H₈F₄OCAS 1737-10-6208.16 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1737-10-6

SMILES

Cc1cccc(OC(F)(F)C(F)F)c1

InChIKey

LZZXOCVBAKJDOO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-
Phenetole, α,α,β,β-tetrafluoro-m-methyl-
3-(1,1,2,2-Tetrafluoroethoxy)toluene

Work with 1-Methyl-3-(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)benzene350-57-265 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-461 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-35-356 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid70126-48-652 % similar 3-Methylanisole100-84-552 % similar 3-Phenoxytoluene3586-14-947 % similar 1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-347 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-7 1-Methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene42145-66-4

Elsewhere

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