chempirical

3-Fluoro-5-(trifluoromethyl)phenol

C7H4F4OCAS 172333-87-8180.10 g/mol

Open in Covalent MOL file
HOFFFF
Alkyl halideAryl halidePhenol

Properties

Molecular formula
C7H4F4O
Molar mass
180.10 g/mol
Exact mass
180.0198 Da
logP
2.55Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
172333-87-8
SMILES
C1=C(C=C(C=C1O)F)C(F)(F)F
InChIKey
VNTKPYNBATZMSV-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H

Weigh it out

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

Work with 3-Fluoro-5-(trifluoromethyl)phenol

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

3,5-Bis(trifluoromethyl)phenol349-58-671 % similar 3,5-Difluorophenol2713-34-058 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-653 % similar 3-Fluoro-5-trifluoromethylaniline454-67-153 % similar 3-Fluoro-5-(trifluoromethyl)benzyl alcohol184970-29-453 % similar 3-(Trifluoromethyl)phenol98-17-950 % similar 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-549 % similar 3-Hydroxy-5-(trifluoromethyl)benzoic acid328-69-849 % similar

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

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 2-Fluoro-3-(trifluoromethyl)phenol207291-85-8 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-5 2,3,5,6-Tetrafluoroanisole2324-98-3 5-Fluoro-2-(trifluoromethyl)phenol243459-91-8 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0

Elsewhere

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