3,5-Bis(trifluoromethyl)benzylamine

C₉H₇F₆NCAS 85068-29-7243.15 g/mol

Open in Covalent MOL file

Alkyl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

Weigh it out

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

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 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 3,5-Bis(trifluoromethyl)benzeneacetonitrile85068-32-250 % similar

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

Elsewhere

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