3,5-Bis(trifluoromethyl)-N-ethylaniline

C₁₀H₉F₆NCAS 49850-16-0257.18 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₁₀H₉F₆N
Molar mass: 257.18 g/mol
Exact mass: 257.0639 Da
logP: 4.16Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

49850-16-0

SMILES

CCNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChIKey

WOIXGFNIYODSEA-UHFFFAOYSA-N

InChI

InChI=1S/C10H9F6N/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h3-5,17H,2H2,1H3

Weigh it out

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

Work with 3,5-Bis(trifluoromethyl)-N-ethylaniline

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

[3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-152 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-750 % similar (3,5-Bis(trifluoromethyl)phenyl)hydrazine hydrochloride502496-23-347 % similar 3',5'-Bis(trifluoromethyl)acetanilide16143-84-346 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-245 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-543 % similar N-Ethyl-4-(trifluoromethoxy)aniline175278-20-342 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-442 % similar

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

Same formula

(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine127733-40-8

Elsewhere

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