7-fluorobicyclo[2.2.1]heptane-2-carboxylic acid

• ChemBase ID: 248570
• Molecular Formular: C8H11FO2
• Molecular Mass: 158.1701432
• Monoisotopic Mass: 158.07430781
• SMILES: C1(C2C(C(C1)CC2)F)C(=O)O
• Canonical SMILES: OC(=O)C1CC2C(C1CC2)F
• InChI: InChI=1S/C8H11FO2/c9-7-4-1-2-5(7)6(3-4)8(10)11/h4-7H,1-3H2,(H,10,11)
• InChIKey: TZZGBTYIYSHBIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluorobicyclo[2.2.1]heptane-2-carboxylic acid
• IUPAC Traditional name: 7-fluorobicyclo[2.2.1]heptane-2-carboxylic acid
• Synonyms: 7-fluorobicyclo[2.2.1]heptane-2-carboxylic acid

Database IDs

• PubChem SID: 164304480
• PubChem CID: 71758525

CALCULATED PROPERTIES

• Acid pKa: 4.46945
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.14830281
• LogD (pH = 7.4): -1.6173383
• Log P: 1.2161808
• Molar Refractivity: 36.3633 cm^3
• Polarizability: 14.338389 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.655

Product Information

• Purity: null%