2-Chloro-2-(chloromethyl)-1,1,1,3,3,3-hexafluoropropane

C₄H₂Cl₂F₆CAS 138690-25-2234.95 g/mol

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Properties

Molecular formula: C₄H₂Cl₂F₆
Molar mass: 234.95 g/mol
Exact mass: 233.9438 Da
logP: 3.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

138690-25-2

SMILES

C(C(C(F)(F)F)(C(F)(F)F)Cl)Cl

InChIKey

BDDXNQXIECRUSQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H2Cl2F6/c5-1-2(6,3(7,8)9)4(10,11)12/h1H2

Weigh it out

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Names and synonyms

1 names

1,2-Dichloro-3,3,3-trifluoro-2-(trifluoromethyl)propane

Work with 2-Chloro-2-(chloromethyl)-1,1,1,3,3,3-hexafluoropropane

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

1,2-Dichloro-1,1-difluoroethane1649-08-743 % similar 2-Chloro-1,1,1-trifluoroethane75-88-740 % similar 1,2-Dichloro-2-fluoropropane420-97-338 % similar 1-Chloro-1,1-dibromo-2,2,2-trifluoroethane754-17-636 % similar 1,2,2,3-Tetrachloropropane13116-53-535 % similar 1,1,1-Trichloro-2,2,2-trifluoroethane354-58-535 % similar 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane375-34-835 % similar 1,1,1,2-Tetrachloroethane630-20-635 % similar

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

Elsewhere

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