1-fluoroadamantane

• ChemBase ID: 95848
• Molecular Formular: C10H15F
• Molecular Mass: 154.2245032
• Monoisotopic Mass: 154.1157787
• SMILES: FC12CC3CC(C1)CC(C2)C3
• Canonical SMILES: FC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
• InChIKey: CPWSNJSGSXXVLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoroadamantane
• IUPAC Traditional name: 1-fluoroadamantane
• Synonyms: 1-Fluoroadamantane

Database IDs

• CAS Number: 768-92-3
• MDL Number: MFCD02682106
• PubChem SID: 162082497
• PubChem CID: 136608

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.463921
• LogD (pH = 7.4): 2.463921
• Log P: 2.463921
• Molar Refractivity: 42.186 cm^3
• Polarizability: 16.645792 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant