1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane

C66H100F3P — CID 143239765

About 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane

1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane (PubChem CID 143239765) has the molecular formula C66H100F3P and a molecular weight of 981.49 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane.

Molecular Properties

• Compound Name: 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
• PubChem CID: 143239765
• Molecular Formula: C66H100F3P
• Molecular Weight: 981.49 g/mol
• Exact Mass: 980.75
• IUPAC Name: 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
• SMILES: CC.CC.CC.Cc1c(F)cc(C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1P
• InChI: InChI=1S/C20H28F2.C20H23F.C20H31P.3C2H6/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-19(21)14(2)20(22)12-18;2*1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;3*1-2/h11-13,15-17H,3-10H2,1-2H3;5,8-14,16H,3-4,6-7H2,1-2H3;5,8,13-14,16-18H,3-4,6-7,9-12,21H2,1-2H3;3*1-2H3
• InChIKey: MADQBTUYWCKTER-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.49
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane?

The IUPAC name of 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane (CID 143239765) is 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane.

What is the SMILES notation for 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane?

The canonical SMILES for 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane is CC.CC.CC.Cc1c(F)cc(C2CCC(C3CCC(C)CC3)CC2)cc1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1P.

What is the InChIKey of 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane?

The InChIKey is MADQBTUYWCKTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2.C20H23F.C20H31P.3C2H6/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-19(21)14(2)20(22)12-18;2*1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;3*1-2/h11-13,15-17H,3-10H2,1-2H3;5,8-14,16H,3-4,6-7H2,1-2H3;5,8,13-14,16-18H,3-4,6-7,9-12,21H2,1-2H3;3*1-2H3.

What are the key properties of 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane?

1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane has a molecular weight of 981.49 g/mol, XLogP of 21.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane is sourced from PubChem (CID 143239765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).