1-(Difluoromethoxy)-4-methylbenzene

C₈H₈F₂OCAS 1583-83-1158.15 g/mol

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Alkyl halide Ether

Properties

Molecular formula: C₈H₈F₂O
Molar mass: 158.15 g/mol
Exact mass: 158.0543 Da
Density: 1.133 g/mL (at 20 °C)
Melting point: 165–167 °C
Boiling point: 165–167 °C
logP: 2.60Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

1583-83-1

SMILES

Cc1ccc(OC(F)F)cc1

InChIKey

DJDQNISEJVPQCS-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3

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Names and synonyms

3 names

Benzene, 1-(difluoromethoxy)-4-methyl-
Anisole, α,α-difluoro-p-methyl-
Difluoromethyl 4-methylphenyl ether

Work with 1-(Difluoromethoxy)-4-methylbenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Difluoromethoxy)benzene458-92-456 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-956 % similar 4-(Difluoromethoxy)benzaldehyde73960-07-352 % similar 1,1′-Oxybis[4-methylbenzene]1579-40-450 % similar 1-[4-(Difluoromethoxy)phenyl]ethanone83882-67-150 % similar 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-748 % similar N-[4-(Difluoromethoxy)phenyl]acetamide22236-11-947 % similar 4-Methylanisole104-93-846 % similar

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

Same formula

1-Ethoxy-2,3-difluorobenzene121219-07-6

Elsewhere

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