4,4-Difluoro-L-prolinamide hydrochloride

C₅H₉ClF₂N₂OCAS 426844-51-1186.59 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₅H₉ClF₂N₂O
Molar mass: 186.59 g/mol
Exact mass: 186.0371 Da
logP: 0.94Crippen estimate
Polar surface area: 56.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

426844-51-1

SMILES

Cl.N=C(O)[C@@H]1CC(F)(F)CN1

InChIKey

RRQDQYAEZGKHOB-DFWYDOINSA-N

InChI

InChI=1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1

Weigh it out

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

Names and synonyms

5 names

2-Pyrrolidinecarboxamide, 4,4-difluoro-, hydrochloride (1:1), (2S)-
2-Pyrrolidinecarboxamide, 4,4-difluoro-, monohydrochloride, (2S)-
(2S)-2-Aminocarbonyl-4,4-difluoropyrrolidine hydrochloride
(2S)-4,4-Difluoro-2-pyrrolidinecarboxamide hydrochloride
(S)-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride

Work with 4,4-Difluoro-L-prolinamide 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

(S)-Pyrrolidine-2-carboxamide monohydrochloride42429-27-646 % similar (2R)-2-Pyrrolidinecarboxamide62937-45-538 % similar (S)-2-Aminobutyramide hydrochloride7682-20-436 % similar 3,3-Difluoroazetidine hydrochloride288315-03-733 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-332 % similar (+)-2,2-Dimethylcyclopropanecarboxamide75885-58-432 % similar 2,2-Dichlorocyclopropanecarboxamide75885-60-832 % similar 3,3-Difluorocyclobutanamine hydrochloride637031-93-731 % similar

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

Elsewhere

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