chempirical

2-Fluoro-5-(trifluoromethyl)phenol

C7H4F4OCAS 141483-15-0180.10 g/mol

Open in Covalent MOL file
FFFOHF
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
141483-15-0
SMILES
C1=CC(=C(C=C1C(F)(F)F)O)F
InChIKey
MCOSBFKOUQAIJS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H

Weigh it out

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

Work with 2-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

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-263 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-058 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-655 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-755 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-352 % similar 2,5-Difluorophenol2713-31-752 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-750 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-050 % 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 2,3,5,6-Tetrafluoroanisole2324-98-3 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-2 2,3,4,5-Tetrafluorobenzenemethanol53072-18-7 4-Fluoro-3-(trifluoromethyl)phenol61721-07-1

Elsewhere

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