bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)

C126H119F21 — CID 159598759

About bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)

bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene) (PubChem CID 159598759) has the molecular formula C126H119F21 and a molecular weight of 2032.30 g/mol. Its IUPAC name is bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene).

Molecular Properties

• Compound Name: bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)
• PubChem CID: 159598759
• Molecular Formula: C126H119F21
• Molecular Weight: 2032.30 g/mol
• Exact Mass: 2030.90
• IUPAC Name: bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)
• SMILES: CC1=CCC(c2cc3ccc(C)c(F)c3c(F)c2F)CC1.CC1=CCC(c2cc3ccc(C)c(F)c3c(F)c2F)CC1.CC1=CCC(c2ccc3cc(C)c(F)c(F)c3c2F)CC1.CC1=CCC(c2ccc3cc(C)c(F)c(F)c3c2F)CC1.Cc1cc2ccc(C3=CCC(C)CC3)c(F)c2c(F)c1F.Cc1cc2ccc(C3=CCC(C)CC3)c(F)c2c(F)c1F.Cc1ccc2cc(C3=CCC(C)CC3)c(F)c(F)c2c1F
• InChI: InChI=1S/7C18H17F3/c3*1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)16(19)15(13)18(21)17(14)20;4*1-10-3-5-12(6-4-10)14-8-7-13-9-11(2)16(19)18(21)15(13)17(14)20/h5-6,8-10H,3-4,7H2,1-2H3;2*3,5,8-9,12H,4,6-7H2,1-2H3;2*5,7-10H,3-4,6H2,1-2H3;2*3,7-9,12H,4-6H2,1-2H3
• InChIKey: MLENVZOLMGUBAY-UHFFFAOYSA-N
• XLogP: 40.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2032.30
LogP ≤ 5	40.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)?

The IUPAC name of bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene) (CID 159598759) is bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene).

What is the SMILES notation for bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)?

The canonical SMILES for bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene) is CC1=CCC(c2cc3ccc(C)c(F)c3c(F)c2F)CC1.CC1=CCC(c2cc3ccc(C)c(F)c3c(F)c2F)CC1.CC1=CCC(c2ccc3cc(C)c(F)c(F)c3c2F)CC1.CC1=CCC(c2ccc3cc(C)c(F)c(F)c3c2F)CC1.Cc1cc2ccc(C3=CCC(C)CC3)c(F)c2c(F)c1F.Cc1cc2ccc(C3=CCC(C)CC3)c(F)c2c(F)c1F.Cc1ccc2cc(C3=CCC(C)CC3)c(F)c(F)c2c1F.

What is the InChIKey of bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)?

The InChIKey is MLENVZOLMGUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/7C18H17F3/c3*1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)16(19)15(13)18(21)17(14)20;4*1-10-3-5-12(6-4-10)14-8-7-13-9-11(2)16(19)18(21)15(13)17(14)20/h5-6,8-10H,3-4,7H2,1-2H3;2*3,5,8-9,12H,4,6-7H2,1-2H3;2*5,7-10H,3-4,6H2,1-2H3;2*3,7-9,12H,4-6H2,1-2H3.

What are the key properties of bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)?

bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene) has a molecular weight of 2032.30 g/mol, XLogP of 40.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene) is sourced from PubChem (CID 159598759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).