4,4'-Dimethoxyoctafluorobiphenyl

C14H6F8O2CAS 2200-71-7358.19 g/mol

Open in Covalent MOL file
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Aryl halideEther

Properties

Molecular formula
C14H6F8O2
Molar mass
358.19 g/mol
Exact mass
358.0240 Da
logP
4.48Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
2200-71-7
SMILES
COC1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)OC)F)F)F)F
InChIKey
TVUPJKALGKCABC-UHFFFAOYSA-N
InChI
InChI=1S/C14H6F8O2/c1-23-13-9(19)5(15)3(6(16)10(13)20)4-7(17)11(21)14(24-2)12(22)8(4)18/h1-2H3

Weigh it out

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Work with 4,4'-Dimethoxyoctafluorobiphenyl

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

Pentafluoromethoxybenzene389-40-278 % similar 2,3,5,6-Tetrafluoroanisole2324-98-354 % similar 2,3,6-Trifluoroanisole4920-34-746 % similar Decafluorobiphenyl434-90-244 % similar 4,4'-Dimethyloctafluorobiphenyl26475-18-341 % similar 1,3-Difluoro-2-methoxybenzene437-82-138 % similar 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl10386-84-236 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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