2-Fluoro-4-nitrobenzotrifluoride

C₇H₃F₄NO₂CAS 69411-67-2209.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃F₄NO₂
Molar mass: 209.10 g/mol
Exact mass: 209.0100 Da
logP: 2.75Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69411-67-2

SMILES

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

InChIKey

XYKVQPNHGFUXBS-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F4NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-4-nitro-1-(trifluoromethyl)benzene

Work with 2-Fluoro-4-nitrobenzotrifluoride

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-Chloro-4-nitrobenzotrifluoride151504-80-265 % similar 2-Methyl-4-nitrobenzotrifluoride1960-52-765 % similar 2-Amino-4-nitrobenzotrifluoride393-49-765 % similar 3-Bromo-4-trifluoromethylnitrobenzene875238-74-765 % similar 3,4-Difluoronitrobenzene369-34-664 % similar 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine121-01-761 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-961 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-0 4-Fluoro-3-nitrobenzotrifluoride367-86-2 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-9 2-Fluoro-5-nitrobenzotrifluoride400-74-8 3-Fluoro-4-nitrobenzotrifluoride402-12-0 2-Fluoro-3-nitrobenzotrifluoride61324-97-8 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-4 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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