(3R)-3-(2,3-difluorophenyl)pyrrolidine

• ChemBase ID: 800659
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: N1C[C@H](CC1)c1c(c(ccc1)F)F
• Canonical SMILES: Fc1cccc(c1F)[C@@H]1CNCC1
• InChI: InChI=1S/C10H11F2N/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m0/s1
• InChIKey: PMMBYPCCLWALNW-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-(2,3-difluorophenyl)pyrrolidine
• IUPAC Traditional name: (3R)-3-(2,3-difluorophenyl)pyrrolidine
• Synonyms: (3R)-3-(2,3-DIFLUOROPHENYL)PYRROLIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2396188
• LogD (pH = 7.4): -0.9492782
• Log P: 1.9970996
• Molar Refractivity: 47.2338 cm^3
• Polarizability: 17.765713 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%