3,5-Bis(trifluoromethyl)benzylamine

C9H7F6NCAS 85068-29-7243.15 g/mol

Open in Covalent MOL file
NH2FFFFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C9H7F6N
Molar mass
243.15 g/mol
Exact mass
243.0483 Da
logP
3.18Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
85068-29-7
SMILES
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
DHVHORCFFOSRBP-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2

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Names and synonyms

4 names
  • Benzenemethanamine, 3,5-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)benzenemethanamine
  • [[3,5-Bis(trifluoromethyl)phenyl]methyl]amine
  • [3,5-Bis(trifluoromethyl)phenyl]methanamine

Work with 3,5-Bis(trifluoromethyl)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

3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-474 % similar 3-(Trifluoromethyl)benzylamine2740-83-264 % similar 4-(Trifluoromethyl)benzylamine3300-51-462 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,5-Bis(trifluoromethyl)benzyl bromide32247-96-456 % similar 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-456 % similar 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-856 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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