3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile

C₄H₄F₃NOCAS 335-08-0139.08 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Nitrile

Properties

Molecular formula: C₄H₄F₃NO
Molar mass: 139.08 g/mol
Exact mass: 139.0245 Da
logP: 0.82Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

335-08-0

SMILES

CC(C#N)(C(F)(F)F)O

InChIKey

XDCMNDCKYSQKAX-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F3NO/c1-3(9,2-8)4(5,6)7/h9H,1H3

Weigh it out

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

Names and synonyms

1 names

1,1,1-Trifluoroacetone cyanohydrin

Work with 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile

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

Acetone cyanohydrin75-86-540 % similar 1,1,1-Trifluoro-2-methyl-2-propanol507-52-836 % similar 2,2,3,3,4,4,4-Heptafluorobutanenitrile375-00-836 % similar Trifluoroacetonitrile353-85-533 % similar Pivalonitrile630-18-233 % similar α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-131 % similar

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

Same formula

4-Amino-1,1,1-trifluoro-3-buten-2-one184848-89-3 4,4,4-Trifluorocrotonamide590-76-1

Elsewhere

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