1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C58H70F12O — CID 161374857

About 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene

1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 161374857) has the molecular formula C58H70F12O and a molecular weight of 1011.17 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

• Compound Name: 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
• PubChem CID: 161374857
• Molecular Formula: C58H70F12O
• Molecular Weight: 1011.17 g/mol
• Exact Mass: 1010.52
• IUPAC Name: 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
• SMILES: CC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H11F7O.C19H25F3.C19H26F2.4H2/c1-10-2-4-11(5-3-10)12-6-14(21)18(15(22)7-12)20(26,27)28-13-8-16(23)19(25)17(24)9-13;1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17;;;;/h2-9H,1H3;10-15H,2-9H2,1H3;10-16H,2-9H2,1H3;4*1H
• InChIKey: VQYBUOWVJDAZSV-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.17
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

The IUPAC name of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 161374857) is 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

What is the SMILES notation for 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

The canonical SMILES for 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene is CC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

The InChIKey is VQYBUOWVJDAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7O.C19H25F3.C19H26F2.4H2/c1-10-2-4-11(5-3-10)12-6-14(21)18(15(22)7-12)20(26,27)28-13-8-16(23)19(25)17(24)9-13;1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17;;;;/h2-9H,1H3;10-15H,2-9H2,1H3;10-16H,2-9H2,1H3;4*1H.

What are the key properties of 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 1011.17 g/mol, XLogP of 19.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 161374857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).