chempirical

2,3,5-Trifluorophenol

C6H3F3OCAS 2268-15-7148.08 g/mol

Open in Covalent MOL file
HOFFF
Aryl halidePhenol

Properties

Molecular formula
C6H3F3O
Molar mass
148.08 g/mol
Exact mass
148.0136 Da
logP
1.81Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2268-15-7
SMILES
C1=C(C=C(C(=C1O)F)F)F
InChIKey
JNZQXSIWHRRMNO-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

Weigh it out

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

Work with 2,3,5-Trifluorophenol

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

1,2,3,5-Tetrafluorobenzene2367-82-064 % similar 5-Bromo-2,3-difluorophenol186590-26-157 % similar 2-Bromo-3,5-difluorophenol325486-43-957 % similar 2,5-Difluorophenol2713-31-752 % similar 2,4-Difluorophenol367-27-152 % similar 1,2,5-Trifluoro-3-methylbenzene132992-29-150 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-550 % similar 2,3,5-Trifluorophenylboronic acid247564-73-450 % similar

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

Same formula

2,3,6-Trifluorophenol113798-74-6 2,4,5-Trifluorophenol2268-16-8 2,4,6-Trifluorophenol2268-17-9 2,3,4-Trifluorophenol2822-41-5 3,4,5-Trifluorophenol99627-05-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook