3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol

C₅H₆F₆OCAS 2927-17-5196.09 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₆F₆O
Molar mass: 196.09 g/mol
Exact mass: 196.0323 Da
logP: 2.11Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
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

2927-17-5

SMILES

CC(CO)(C(F)(F)F)C(F)(F)F

InChIKey

PDVIQMXPNJDUGQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6F6O/c1-3(2-12,4(6,7)8)5(9,10)11/h12H,2H2,1H3

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Names and synonyms

1 names

2,2-Bis(trifluoromethyl)propanol

Work with 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol

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-Fluoro-2-methylpropan-1-ol3109-99-745 % similar 2,2-Difluoro-1-propanol33420-52-945 % similar 2,2,3,3,3-Pentafluoropropanol422-05-945 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-940 % similar Trimethylolethane77-85-040 % similar Neopentyl glycol126-30-738 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-638 % similar 2,2-Difluoropropane-1,3-diol428-63-738 % similar

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

Same formula

1-(2H-Perfluoropropyl)ethanol2711-81-1 Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-7

Elsewhere

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