1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene)

C₁₇H₁₄F₆CAS 1095-77-8332.29 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₇H₁₄F₆
Molar mass: 332.29 g/mol
Exact mass: 332.1000 Da
Melting point: 80–81 °C
Boiling point: 110–112 °C (at 1.7 Torr)
logP: 5.71Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1095-77-8

SMILES

Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1

InChIKey

OWEIAGSMFHSSES-UHFFFAOYSA-N

InChI

InChI=1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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

Names and synonyms

7 names

1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[4-methylbenzene]
Benzene, 1,1′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-methyl-
Propane, hexafluoro-2,2-di-p-tolyl-
Propane, 1,1,1,3,3,3-hexafluoro-2,2-di-p-tolyl-
2,2-Bis(p-tolyl)hexafluoropropane
2,2-Bis(4-methylphenyl)hexafluoropropane
1-[1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

Work with 1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene)

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

4-(Heptafluoroisopropyl)toluene2396-26-164 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-658 % similar 4,4'-(Hexafluoroisopropylidene)dianiline1095-78-954 % similar Bisphenol AF1478-61-154 % similar 1,1'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]65294-20-454 % similar 4-tert-Butyltoluene98-51-148 % similar 2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane116325-74-747 % similar P-Xylene106-42-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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