chempirical

2-Fluoro-3-(trifluoromethyl)phenol

C7H4F4OCAS 207291-85-8180.10 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
207291-85-8
SMILES
C1=CC(=C(C(=C1)O)F)C(F)(F)F
InChIKey
DOICLFHNNMXINV-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H

Weigh it out

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

Work with 2-Fluoro-3-(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

2-(Trifluoromethyl)phenol444-30-463 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-160 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-559 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-857 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-155 % similar 2-Fluoro-3-(trifluoromethyl)benzeneboronic acid157834-21-455 % similar 2-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-155 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-050 % 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-Fluoro-5-(trifluoromethyl)phenol141483-15-0 3-Fluoro-5-(trifluoromethyl)phenol172333-87-8 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

PubChem CAS Common Chemistry NIST WebBook