4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol

C9H8F4O2CAS 83282-91-1224.15 g/mol

Open in Covalent MOL file
OFFOHFF
AlcoholAryl halideEther

Properties

Molecular formula
C9H8F4O2
Molar mass
224.15 g/mol
Exact mass
224.0460 Da
logP
1.88Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
83282-91-1
SMILES
COCC1=C(C(=C(C(=C1F)F)CO)F)F
InChIKey
YFHZSPDQKWFAPH-UHFFFAOYSA-N
InChI
InChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3

Weigh it out

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Work with 4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol

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

2,3,5,6-Tetrafluoro-1,4-benzenedimethanol92339-07-661 % similar Pentafluorobenzyl alcohol440-60-858 % similar 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-754 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-243 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-138 % similar Dimefluthrin271241-14-638 % similar Renofluthrin352271-52-437 % similar 2,4,6-Trimethoxybenzyl alcohol61040-78-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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