1-Iodo-3-(trifluoromethyl)benzene

C₇H₄F₃ICAS 401-81-0272.01 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
Boiling point: 82–82.5 °C (at 25 Torr)
logP: 3.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

401-81-0

SMILES

FC(F)(F)c1cccc(I)c1

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

14 names · show all

Benzene, 1-iodo-3-(trifluoromethyl)-
Toluene, α,α,α-trifluoro-m-iodo-
α,α,α-Trifluoro-m-iodotoluene
m-(Trifluoromethyl)iodobenzene
3-(Trifluoromethyl)iodobenzene
m-Iodobenzotrifluoride
3-Iodo-1-(trifluoromethyl)benzene
3-Iodo-α,α,α-trifluorotoluene
3-Trifluoromethyl-1-iodobenzene
3-(Trifluoromethyl)phenyl iodide
3-Iodo(trifluoromethyl)benzene
3-Iodobenzotrifluoride
NSC 88322
1-Trifluoromethyl-3-iodobenzene

Work with 1-Iodo-3-(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

3,5-Bis(trifluoromethyl)benzene402-31-365 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-460 % similar 1,3-Diiodobenzene626-00-659 % similar 3-Fluorobenzotrifluoride401-80-956 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-852 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-552 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-652 % similar 3-(Trifluoromethyl)aniline98-16-852 % similar

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

Same formula

1-Iodo-2-(trifluoromethyl)benzene444-29-1 1-Iodo-4-(trifluoromethyl)benzene455-13-0

Elsewhere

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