1-Iodo-1-(trifluoromethoxy)tetrafluoroethane

C₃F₇IOCAS 69066-98-4311.93 g/mol

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Alkyl halide Ether

Properties

Molecular formula: C₃F₇IO
Molar mass: 311.93 g/mol
Exact mass: 311.8882 Da
logP: 3.14Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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 4 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

69066-98-4

SMILES

C(C(F)(F)F)(OC(F)(F)F)(F)I

InChIKey

AKRCGMWXORUMMA-UHFFFAOYSA-N

InChI

InChI=1S/C3F7IO/c4-1(5,6)2(7,11)12-3(8,9)10

Weigh it out

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Names and synonyms

1 names

1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane

Work with 1-Iodo-1-(trifluoromethoxy)tetrafluoroethane

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

1,1,1,2,2-Pentafluoro-3-iodopropane354-69-832 % similar Pentafluoroethyl iodide354-64-330 % similar Perfluoroisopropyl iodide677-69-030 % similar

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

Elsewhere

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