molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)

C125H150F28 — CID 161167767

About molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)

molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene) (PubChem CID 161167767) has the molecular formula C125H150F28 and a molecular weight of 2184.52 g/mol. Its IUPAC name is molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene).

Molecular Properties

• Compound Name: molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)
• PubChem CID: 161167767
• Molecular Formula: C125H150F28
• Molecular Weight: 2184.52 g/mol
• Exact Mass: 2183.13
• IUPAC Name: molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)
• SMILES: CC1CCC(C2CCC(C3Cc4ccc(F)c(F)c4C3(F)F)CC2)CC1.CC1CCC(C2CCC(C3Cc4ccc(F)c(F)c4C3(F)F)CC2)CC1.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.Cc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C)CC1)C2.Cc1ccc(C2Cc3ccc(F)c(F)c3C2(F)F)cc1.Cc1ccc(C2Cc3ccc(F)c(F)c3C2(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C22H28F4.C17H20F4.2C16H18F4.2C16H12F4.7H2/c2*1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-12-17-10-11-19(23)21(24)20(17)22(18,25)26;1-9-3-5-11(6-4-9)13-8-12-7-10(2)15(18)16(19)14(12)17(13,20)21;4*1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;;;;;;;/h2*10-11,13-16,18H,2-9,12H2,1H3;7,9,11,13H,3-6,8H2,1-2H3;2*6-7,9-10,12H,2-5,8H2,1H3;2*2-7,12H,8H2,1H3;7*1H
• InChIKey: UQTVPIIJFADZCK-UHFFFAOYSA-N
• XLogP: 40.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2184.52
LogP ≤ 5	40.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)?

The IUPAC name of molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene) (CID 161167767) is molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene).

What is the SMILES notation for molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)?

The canonical SMILES for molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene) is CC1CCC(C2CCC(C3Cc4ccc(F)c(F)c4C3(F)F)CC2)CC1.CC1CCC(C2CCC(C3Cc4ccc(F)c(F)c4C3(F)F)CC2)CC1.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.Cc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C)CC1)C2.Cc1ccc(C2Cc3ccc(F)c(F)c3C2(F)F)cc1.Cc1ccc(C2Cc3ccc(F)c(F)c3C2(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)?

The InChIKey is UQTVPIIJFADZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H28F4.C17H20F4.2C16H18F4.2C16H12F4.7H2/c2*1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-12-17-10-11-19(23)21(24)20(17)22(18,25)26;1-9-3-5-11(6-4-9)13-8-12-7-10(2)15(18)16(19)14(12)17(13,20)21;4*1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;;;;;;;/h2*10-11,13-16,18H,2-9,12H2,1H3;7,9,11,13H,3-6,8H2,1-2H3;2*6-7,9-10,12H,2-5,8H2,1H3;2*2-7,12H,8H2,1H3;7*1H.

What are the key properties of molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)?

molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene) has a molecular weight of 2184.52 g/mol, XLogP of 40.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene) is sourced from PubChem (CID 161167767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).