2-(Difluoromethoxy)aniline

C₇H₇F₂NOCAS 22236-04-0159.14 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₇H₇F₂NO
Molar mass: 159.14 g/mol
Exact mass: 159.0496 Da
logP: 1.87Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled39.2% of notifiers
H302 Harmful if swallowed98.6% of notifiers
H312 Harmful in contact with skin93.2% of notifiers
H332 Harmful if inhaled98.6% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

22236-04-0

SMILES

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

InChIKey

CGNAIUUCOVWLLL-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2

Weigh it out

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

Work with 2-(Difluoromethoxy)aniline

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-Bromo-2-(difluoromethoxy)benzene175278-33-855 % similar 2-(Difluoromethoxy)benzylamine243863-36-753 % similar 2-(Difluoromethoxy)benzonitrile56935-78-550 % similar 2-(Difluoromethoxy)benzaldehyde71653-64-050 % similar O-Anisidine90-04-050 % similar (2-(Difluoromethoxy)phenyl)methanol72768-94-648 % similar 2-(Difluoromethoxy)benzyl bromide85684-64-648 % similar 2-Trifluoromethoxyaniline1535-75-748 % similar

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

Same formula

3-(Difluoromethoxy)aniline22236-08-4 4-(Difluoromethoxy)aniline22236-10-8 3,5-Difluoro-4-methoxyaniline363-47-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook