chempirical

1,2,3-Trifluorobenzene

C6H3F3CAS 1489-53-8132.09 g/mol

Open in Covalent MOL file
FFF
Aryl halide

Properties

Molecular formula
C6H3F3
Molar mass
132.09 g/mol
Exact mass
132.0187 Da
logP
2.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1489-53-8
SMILES
C1=CC(=C(C(=C1)F)F)F
InChIKey
AJKNNUJQFALRIK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H

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

Work with 1,2,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2,3-difluorobenzene38573-88-565 % similar 1,2,3,4-Tetrafluorobenzene551-62-263 % similar 1,2-Difluoro-3-methylbenzene3828-49-762 % similar 2,3-Difluoroaniline4519-40-862 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-557 % similar 1,2-Difluorobenzene367-11-356 % similar (2,3-Difluorophenyl)boronic acid121219-16-754 % similar 1,2-Difluoro-3-methoxybenzene134364-69-554 % similar

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

Same formula

1,2,4-Trifluorobenzene367-23-7 1,3,5-Trifluorobenzene372-38-3

Elsewhere

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