1,3,5-Trifluorobenzene

C₆H₃F₃CAS 372-38-3132.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃F₃
Molar mass: 132.09 g/mol
Exact mass: 132.0187 Da
Density: 1.277 g/mL (at 20 °C)
Melting point: −5.5 °C
Boiling point: 75.5 °C
logP: 2.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

372-38-3

SMILES

Fc1cc(F)cc(F)c1

InChIKey

JXUKFFRPLNTYIV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,3,5-trifluoro-
Sym-Trifluorobenzene
NSC 10264

Work with 1,3,5-Trifluorobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Difluorobenzene372-18-962 % similar 3,5-Difluorotoluene117358-51-760 % similar 1,3-Difluoro-5-iodobenzene2265-91-060 % similar 3,5-Difluorophenol2713-34-060 % similar 3,5-Difluoroaniline372-39-460 % similar 1-Bromo-3,5-difluorobenzene461-96-160 % similar 1-Ethyl-3,5-difluorobenzene117358-52-850 % similar 1,3-Dichloro-5-fluorobenzene1435-46-750 % similar

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

Same formula

1,2,3-Trifluorobenzene1489-53-8 1,2,4-Trifluorobenzene367-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook