N-Isopropyl-2-nitro-4-(trifluoromethyl)aniline

C₁₀H₁₁F₃N₂O₂CAS 175277-90-4248.21 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Secondary amine

Properties

Molecular formula: C₁₀H₁₁F₃N₂O₂
Molar mass: 248.21 g/mol
Exact mass: 248.0773 Da
logP: 3.43Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175277-90-4

SMILES

CC(C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChIKey

KUROZHKSHLAXMC-UHFFFAOYSA-N

InChI

InChI=1S/C10H11F3N2O2/c1-6(2)14-8-4-3-7(10(11,12)13)5-9(8)15(16)17/h3-6,14H,1-2H3

Weigh it out

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

Names and synonyms

1 names

4-Isopropylamino-3-nitrobenzotrifluoride

Work with N-Isopropyl-2-nitro-4-(trifluoromethyl)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

[2-Nitro-4-(trifluoromethyl)phenyl]hydrazine1513-50-467 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-757 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-256 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-555 % similar 3-Amino-4-(isopropylamino)benzotrifluoride175277-91-555 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-155 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-655 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-755 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook