(1R,2R)-2-fluorocyclopentan-1-amine

• ChemBase ID: 169104
• Molecular Formular: C5H10FN
• Molecular Mass: 103.1380032
• Monoisotopic Mass: 103.07972755
• SMILES: C1[C@H]([C@@H](CC1)N)F
• Canonical SMILES: F[C@@H]1CCC[C@H]1N
• InChI: InChI=1S/C5H10FN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5-/m1/s1
• InChIKey: SYDPJQJXMGPZQF-RFZPGFLSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-fluorocyclopentan-1-amine
• IUPAC Traditional name: (1R,2R)-2-fluorocyclopentan-1-amine
• Synonyms: (1R,2R)-2-Fluorocyclopentanamine Hydrochloride

Database IDs

• CAS Number: 939398-71-7
• PubChem SID: 162263236
• PubChem CID: 53302323

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4058034
• LogD (pH = 7.4): -1.2512434
• Log P: 0.5454312
• Molar Refractivity: 26.0014 cm^3
• Polarizability: 10.443112 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F588855

A cyclopentanamine used in the preparation of heterocyclic and aromatic ureas and amides as CEPT inhibitors.