1-Iodo-4-(trifluoromethyl)benzene

C₇H₄F₃ICAS 455-13-0272.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄F₃I
Molar mass: 272.01 g/mol
Exact mass: 271.9310 Da
Density: 1.85 g/mL
Melting point: 167–168 °C
logP: 3.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

455-13-0

SMILES

FC(F)(F)c1ccc(I)cc1

InChIKey

SKGRFPGOGCHDPC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H

Weigh it out

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

Names and synonyms

13 names · show all

Benzene, 1-iodo-4-(trifluoromethyl)-
Toluene, α,α,α-trifluoro-p-iodo-
p-(Trifluoromethyl)iodobenzene
4-Iodobenzotrifluoride
α,α,α-Trifluoro-p-iodotoluene
p-Iodobenzotrifluoride
4-(Trifluoromethyl)iodobenzene
4-Iodo-1-(trifluoromethyl)benzene
4-(Trifluoromethyl)phenyl iodide
p-Iodo(trifluoromethyl)benzene
4-Iodo(trifluoromethyl)benzene
1-Trifluoromethyl-4-iodobenzene
4-Trifluoromethyl-1-iodobenzene

Work with 1-Iodo-4-(trifluoromethyl)benzene

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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-457 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 1-tert-Butyl-4-iodobenzene35779-04-550 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-750 % similar 4-(Trifluoromethyl)phenol402-45-950 % similar 4-(Trifluoromethyl)aniline455-14-150 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-650 % similar

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

Same formula

1-Iodo-3-(trifluoromethyl)benzene401-81-0 1-Iodo-2-(trifluoromethyl)benzene444-29-1

Elsewhere

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