3-(Trifluoromethyl)azetidin-3-ol hydrochloride

C4H7ClF3NOCAS 848192-96-1177.55 g/mol

Open in Covalent MOL file
HNFFFOHHCl
AlcoholAlkyl halideSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

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

PubChem CAS Common Chemistry NIST WebBook