chempirical

2,4,5-Trifluorophenol

C6H3F3OCAS 2268-16-8148.08 g/mol

Open in Covalent MOL file
FFFOH
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
2268-16-8
SMILES
C1=C(C(=CC(=C1F)F)F)O
InChIKey
ODGMYCITQAIRCI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

Weigh it out

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

Work with 2,4,5-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

5-Amino-2,4-difluorophenol113512-71-361 % similar 4-Amino-2,5-difluorophenol120103-19-761 % similar 5-Bromo-2,4-difluorophenol355423-48-261 % similar 4-Bromo-2,5-difluorophenol486424-36-661 % similar 2-Bromo-4,5-difluorophenol166281-37-457 % similar 1,2,4,5-Tetrafluorobenzene327-54-856 % similar 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-654 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-350 % similar

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

Same formula

2,3,6-Trifluorophenol113798-74-6 2,3,5-Trifluorophenol2268-15-7 2,4,6-Trifluorophenol2268-17-9 2,3,4-Trifluorophenol2822-41-5 3,4,5-Trifluorophenol99627-05-1

Elsewhere

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