(1S,2R)-2-(2-fluorophenoxy)cyclopentan-1-amine

• ChemBase ID: 273913
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: O(c1c(F)cccc1)[C@H]1[C@@H](N)CCC1
• Canonical SMILES: N[C@H]1CCC[C@H]1Oc1ccccc1F
• InChI: InChI=1S/C11H14FNO/c12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)13/h1-2,4,6,9,11H,3,5,7,13H2/t9-,11+/m0/s1
• InChIKey: FJVNCQVAONNZJP-GXSJLCMTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R)-2-(2-fluorophenoxy)cyclopentan-1-amine
• IUPAC Traditional name: (1S,2R)-2-(2-fluorophenoxy)cyclopentan-1-amine
• Synonyms: (1S,2R)-2-(2-fluorophenoxy)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD18838703
• PubChem SID: 164329823
• PubChem CID: 30818822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8668396
• LogD (pH = 7.4): -0.01867872
• Log P: 2.131193
• Molar Refractivity: 52.1698 cm^3
• Polarizability: 20.665623 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.188

Product Information

• Purity: 95%