(R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride

C10H12ClF2NCAS 1218935-60-4219.66 g/mol

Open in Covalent MOL file
HClFFHN
Aryl halideSecondary amine

Properties

Molecular formula
C10H12ClF2N
Molar mass
219.66 g/mol
Exact mass
219.0626 Da
logP
2.81Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1218935-60-4
SMILES
Cl.Fc1ccc(F)c([C@H]2CCCN2)c1
InChIKey
XSWCQOVADZHFIJ-HNCPQSOCSA-N
InChI
InChI=1S/C10H11F2N.ClH/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m1./s1

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Names and synonyms

1 names
  • Pyrrolidine, 2-(2,5-difluorophenyl)-, hydrochloride (1:1), (2R)-

Work with (R)-2-(2,5-Difluorophenyl)pyrrolidine 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.

(2R)-2-(2,5-Difluorophenyl)pyrrolidine1218935-59-1Free base

Similar compounds

2-(2-Fluorophenyl)pyrrolidine72216-04-758 % similar (R)-2-(4-Fluorophenyl)pyrrolidine298690-89-853 % similar (S)-2-(4-Fluorophenyl)pyrrolidine298690-90-153 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-953 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-953 % similar (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-953 % similar (S)-2-(3-Fluorophenyl)pyrrolidine920274-04-053 % similar 2-(2-Chlorophenyl)pyrrolidine129540-21-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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