3-(Trifluoromethyl)azetidin-3-ol hydrochloride

C₄H₇ClF₃NOCAS 848192-96-1177.55 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Secondary amine

Properties

Molecular formula: C₄H₇ClF₃NO
Molar mass: 177.55 g/mol
Exact mass: 177.0168 Da
logP: 0.30Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 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

848192-96-1

SMILES

C1C(CN1)(C(F)(F)F)O.Cl

InChIKey

BWGPIPWVIWINLD-UHFFFAOYSA-N

InChI

InChI=1S/C4H6F3NO.ClH/c5-4(6,7)3(9)1-8-2-3;/h8-9H,1-2H2;1H

Weigh it out

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

Work with 3-(Trifluoromethyl)azetidin-3-ol hydrochloride

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-(Trifluoromethyl)-4-piperidinol373603-69-150 % similar 3,3-Difluoroazetidine hydrochloride288315-03-746 % similar 2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine407-01-239 % similar 2,2,2-Trifluoroethylamine hydrochloride373-88-635 % similar 3,3-Difluoropyrrolidine hydrochloride163457-23-634 % similar 3,3-Difluoropiperidine hydrochloride496807-97-732 % similar 4,4-Difluoropiperidine hydrochloride144230-52-432 % similar 4,4-Dihydroxypiperidine hydrochloride40064-34-432 % similar

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

Elsewhere

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