4-(1,1,2,2-Tetrafluoroethoxy)aniline

C₈H₇F₄NOCAS 713-62-2209.14 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₇F₄NO
Molar mass: 209.14 g/mol
Exact mass: 209.0464 Da
logP: 2.51Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

713-62-2

SMILES

C1=CC(=CC=C1N)OC(C(F)F)(F)F

InChIKey

ZQQSVTYLRGGCEI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2

Weigh it out

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

Work with 4-(1,1,2,2-Tetrafluoroethoxy)aniline

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

(1,1,2,2-Tetrafluoroethoxy)benzene350-57-262 % similar 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-761 % similar 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene68834-05-961 % similar 4-(Trifluoromethoxy)aniline461-82-559 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-456 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid10009-25-351 % similar 4-(Difluoromethoxy)aniline22236-10-848 % similar 1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-4

Elsewhere

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