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

• ChemBase ID: 799491
• Molecular Formular: C6H12FN
• Molecular Mass: 117.1645832
• Monoisotopic Mass: 117.09537761
• SMILES: [C@@H]1([C@@H](CCCC1)F)N
• Canonical SMILES: N[C@@H]1CCCC[C@H]1F
• InChI: InChI=1S/C6H12FN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2/t5-,6-/m1/s1
• InChIKey: ZFZUTWAYBJFSIL-PHDIDXHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-fluorocyclohexan-1-amine
• IUPAC Traditional name: (1R,2R)-2-fluorocyclohexan-1-amine
• Synonyms: (1R,2R)-2-fluorocyclohexanamine

Database IDs

• CAS Number: 1260607-25-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9612436
• LogD (pH = 7.4): -0.8067224
• Log P: 0.98999983
• Molar Refractivity: 30.6024 cm^3
• Polarizability: 12.273579 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%