4-Chloro-1-iodo-2-(trifluoromethyl)benzene

C₇H₃ClF₃ICAS 23399-77-1306.45 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₃I
Molar mass: 306.45 g/mol
Exact mass: 305.8920 Da
logP: 3.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

23399-77-1

SMILES

FC(F)(F)c1cc(Cl)ccc1I

InChIKey

DRMQJFVDZWIKTE-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-chloro-1-iodo-2-(trifluoromethyl)-
Toluene, 5-chloro-α,α,α-trifluoro-2-iodo-
4-Chloro-2-(trifluoromethyl)iodobenzene
4-Chloro-1-iodo-2-trifluoromethylbenzene
2-Iodo-5-chlorobenzotrifluoride
5-Chloro-2-iodobenzotrifluoride

Work with 4-Chloro-1-iodo-2-(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-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-056 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-556 % similar 2-Trifluoromethyl-4-chloroaniline445-03-456 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 4-Chloro-2-fluoro-1-iodobenzene6797-79-152 % similar 2,4-Dichloro-1-iodobenzene29898-32-650 % similar 1-Iodo-2-(trifluoromethyl)benzene444-29-150 % similar

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

Same formula

4-Chloro-3-iodobenzotrifluoride672-57-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook