trans,trans-4-(4-fluorophenyl)-4'-propylbicyclohexyl

• CAS: 82832-27-7
• Catalog Number: ACM82832277
• Category: Other Products
• Molecular Weight: 302.47
• Molecular Formula: C21H31F
• Synonyms: Benzene, 1-fluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
• IUPAC Name: 1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
• Canonical SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F
• InChI: InChI=1S/C21H31F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h12-19H,2-11H2,1H3
• InChI Key: IKODGORUTZMKPL-UHFFFAOYSA-N
• Boiling Point: 388.7±21.0 °C
• Melting Point: 71°C (lit.)
• Density: 1.07 g/ml
• Appearance: White to Almost white powder to crystal
• Complexity: 302
• Covalently-Bonded Unit Count: 1
• Exact Mass: 302.240979g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 22
• MDL Number: MFCD11053420
• Monoisotopic Mass: 302.240979g/mol
• Refractive Index: 1.49
• Rotatable Bond Count: 4
• Specific Gravity: 1.04
• XLogP3: 8.3