3-(Difluoromethoxy)benzaldehyde

C₈H₆F₂O₂CAS 85684-61-3172.13 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
logP: 2.10Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

85684-61-3

SMILES

C1=CC(=CC(=C1)OC(F)F)C=O

InChIKey

HFIUSWPRDIPIPN-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-5,8H

Weigh it out

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

Work with 3-(Difluoromethoxy)benzaldehyde

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

3-Methoxybenzaldehyde591-31-163 % similar 4-(Difluoromethoxy)benzaldehyde73960-07-361 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-35-359 % similar 3-Phenoxybenzaldehyde39515-51-058 % similar 3-(Trifluoromethoxy)benzaldehyde50823-91-157 % similar 3-(Trifluoromethoxy)benzaldehyde52771-21-857 % similar 3-Fluorobenzaldehyde456-48-455 % similar Isophthalaldehyde626-19-754 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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