4-(Difluoromethoxy)benzylamine

C₈H₉F₂NOCAS 177842-14-7173.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₉F₂NO
Molar mass: 173.16 g/mol
Exact mass: 173.0652 Da
logP: 1.75Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed11.1% of notifiers
H314 Causes severe skin burns and eye damage88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, P405, P501

Identifiers

CAS number

177842-14-7

SMILES

C1=CC(=CC=C1CN)OC(F)F

InChIKey

UHWPLNHRROQPMB-UHFFFAOYSA-N

InChI

InChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H,5,11H2

Weigh it out

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

Work with 4-(Difluoromethoxy)benzylamine

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

4-(Difluoromethoxy)benzyl bromide3447-53-860 % similar 4-(Difluoromethoxy)benzyl alcohol659-33-660 % similar 4-(Difluoromethoxy)aniline22236-10-855 % similar 4-(Difluoromethoxy)phenylacetonitrile41429-16-755 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-950 % similar 4-Fluorobenzylamine140-75-050 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-150 % similar 4-Methoxybenzylamine2393-23-950 % similar

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

Same formula

2-(Difluoromethoxy)benzylamine243863-36-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook