(S)-1,1,1-Trifluoroisopropylamine hydrochloride

C₃H₇ClF₃NCAS 125353-44-8149.54 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₃H₇ClF₃N
Molar mass: 149.54 g/mol
Exact mass: 149.0219 Da
logP: 1.32Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

125353-44-8

SMILES

C[C@H](N)C(F)(F)F.Cl

InChIKey

VLVCERQEOKPRTG-DKWTVANSSA-N

InChI

InChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m0./s1

Weigh it out

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

Names and synonyms

6 names

2-Propanamine, 1,1,1-trifluoro-, hydrochloride (1:1), (2S)-
2-Propanamine, 1,1,1-trifluoro-, hydrochloride, (S)-
2-Propanamine, 1,1,1-trifluoro-, hydrochloride, (2S)-
(1S)-2,2,2-Trifluoro-1-methylethylamine hydrochloride
(S)-1,1,1-Trifluoropropan-2-amine hydrochloride
(2S)-1,1,1-Trifluoropropan-2-amine hydrochloride

Work with (S)-1,1,1-Trifluoroisopropylamine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,1,1-Trifluoro-2-propanamine421-49-8Free base, stereo not defined (R)-2-Amino-1,1,1-trifluoropropane hydrochloride177469-12-4Enantiomer

Similar compounds

Rimantadine hydrochloride1501-84-443 % similar (+)-2-Amino-3,3-dimethylbutane22526-47-239 % similar 2-Amino-3,3-dimethylbutane3850-30-439 % similar (R)-3,3-Dimethyl-2-aminobutane66228-31-739 % similar Monoisopropylammonium chloride15572-56-236 % similar 3,3,3-Trifluoroalanine ethyl ester hydrochloride193140-71-533 % similar (R)-1-Fluoro-2-propylamine hydrochloride273734-17-133 % similar (2S)-1,1,1-Trifluoropropan-2-ol3539-97-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3,3-Trifluoropropylamine hydrochloride2968-33-4

Elsewhere

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