1-fluoro-3-(4-propylcyclohexyl)benzene

• ChemBase ID: 290075
• Molecular Formular: C15H21F
• Molecular Mass: 220.3256432
• Monoisotopic Mass: 220.16272889
• SMILES: CCCC1CCC(c2cc(F)ccc2)CC1
• Canonical SMILES: CCCC1CCC(CC1)c1cccc(c1)F
• InChI: InChI=1S/C15H21F/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h3,5-6,11-13H,2,4,7-10H2,1H3
• InChIKey: UCPPGQWSQUGPEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-3-(4-propylcyclohexyl)benzene
• IUPAC Traditional name: 1-fluoro-3-(4-propylcyclohexyl)benzene
• Synonyms: 1-Fluoro-3-(4-propylcyclohexyl)benzene

Database IDs

• CAS Number: 119511-09-0
• PubChem SID: 180675606
• PubChem CID: 15255728

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4070935
• LogD (pH = 7.4): 5.4070935
• Log P: 5.4070935
• Molar Refractivity: 66.2166 cm^3
• Polarizability: 25.751429 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%