1-Fluoro-2-(trifluoromethoxy)benzene

C₇H₄F₄OCAS 2106-18-5180.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄F₄O
Molar mass: 180.10 g/mol
Exact mass: 180.0198 Da
logP: 2.72Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H224 Extremely flammable liquid and vapor66.7% of notifiers
H225 Highly Flammable liquid and vapor16.7% of notifiers
H226 Flammable liquid and vapor16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2106-18-5

SMILES

C1=CC=C(C(=C1)OC(F)(F)F)F

InChIKey

UKRYEFFTFFRSPY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

1 names

2-(Trifluoromethoxy)fluorobenzene

Work with 1-Fluoro-2-(trifluoromethoxy)benzene

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-(Trifluoromethoxy)bromobenzene64115-88-459 % similar 2-Trifluoromethoxyaniline1535-75-757 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-957 % similar 2-(Trifluoromethoxy)thiophenol175278-01-057 % similar 2-Trifluoromethoxyphenol32858-93-857 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-457 % similar 3-Fluoro-4-(trifluoromethoxy)phenol177596-38-253 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-453 % 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 2-Fluoro-3-(trifluoromethyl)phenol207291-85-8 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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