(2R)-1-fluorooctan-2-ol

• ChemBase ID: 137805
• Molecular Formular: C8H17FO
• Molecular Mass: 148.2183832
• Monoisotopic Mass: 148.12634338
• SMILES: CCCCCC[C@H](CF)O
• Canonical SMILES: CCCCCC[C@H](CF)O
• InChI: InChI=1S/C8H17FO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m1/s1
• InChIKey: KLGNQHRPPLDIFC-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-fluorooctan-2-ol
• IUPAC Traditional name: (2R)-1-fluorooctan-2-ol
• Synonyms: (R)-(+)-1-Fluoro-2-octanol; (R)-(+)-1-氟-2-辛醇

Database IDs

• CAS Number: 110270-42-3
• MDL Number: MFCD00077543
• PubChem SID: 162232066; 24871362
• PubChem CID: 10986399

CALCULATED PROPERTIES

• Acid pKa: 14.156178
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3997848
• LogD (pH = 7.4): 2.3997848
• Log P: 2.3997848
• Molar Refractivity: 40.2083 cm^3
• Polarizability: 15.780894 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96-97 °C/22 mmHg(lit.)
• Flash Point: 167 °F; 75 °C
• Density: 1.254 g/mL at 25 °C(lit.)
• Optical Rotation: [α]25/D +10°, neat

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)5CH(OH)CH2F

DETAILS

Sigma Aldrich - 477362

Packaging
100 mg in glass bottle