1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C166H208F16N6 — CID 158597193

About 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene

1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 158597193) has the molecular formula C166H208F16N6 and a molecular weight of 2591.50 g/mol. Its IUPAC name is 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

• Compound Name: 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
• PubChem CID: 158597193
• Molecular Formula: C166H208F16N6
• Molecular Weight: 2591.50 g/mol
• Exact Mass: 2589.62
• IUPAC Name: 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
• SMILES: CC1CCC(C2CCC(c3cc(F)c(C#N)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C#N)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CC1CCC(c2cc(F)c(C#N)c(F)c2)CC1.CC1CCC(c2cc(F)c(F)c(F)c2)CC1.CC1CCC(c2ccc(C#N)c(F)c2)CC1.CC1CCC(c2ccc(C#N)cc2)CC1.CC1CCC(c2ccc(F)c(F)c2)CC1
• InChI: InChI=1S/C20H25F2N.C20H26FN.C20H27N.C19H25F3.C19H26F2.C14H15F2N.C14H16FN.C14H17N.C13H15F3.C13H16F2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-19(21)18(12-23)20(22)11-17;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(13-22)20(21)12-18;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(14-21)5-9-18;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;1-9-2-4-10(5-3-9)11-6-13(15)12(8-17)14(16)7-11;1-10-2-4-11(5-3-10)12-6-7-13(9-16)14(15)8-12;1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10;1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11/h10-11,13-16H,2-9H2,1H3;10-12,14-17H,2-9H2,1H3;4-5,8-9,15,17,19-20H,2-3,6-7,10-13H2,1H3;10-15H,2-9H2,1H3;10-16H,2-9H2,1H3;6-7,9-10H,2-5H2,1H3;6-8,10-11H,2-5H2,1H3;4-5,8-9,11,13H,2-3,6-7H2,1H3;6-9H,2-5H2,1H3;6-10H,2-5H2,1H3
• InChIKey: HVEHGPOFDYAYJE-UHFFFAOYSA-N
• XLogP: 50.29
• TPSA: 142.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2591.50
LogP ≤ 5	50.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

The IUPAC name of 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 158597193) is 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

What is the SMILES notation for 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

The canonical SMILES for 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene is CC1CCC(C2CCC(c3cc(F)c(C#N)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C#N)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CC1CCC(c2cc(F)c(C#N)c(F)c2)CC1.CC1CCC(c2cc(F)c(F)c(F)c2)CC1.CC1CCC(c2ccc(C#N)c(F)c2)CC1.CC1CCC(c2ccc(C#N)cc2)CC1.CC1CCC(c2ccc(F)c(F)c2)CC1.

What is the InChIKey of 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

The InChIKey is HVEHGPOFDYAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N.C20H26FN.C20H27N.C19H25F3.C19H26F2.C14H15F2N.C14H16FN.C14H17N.C13H15F3.C13H16F2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-19(21)18(12-23)20(22)11-17;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(13-22)20(21)12-18;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(14-21)5-9-18;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;1-9-2-4-10(5-3-9)11-6-13(15)12(8-17)14(16)7-11;1-10-2-4-11(5-3-10)12-6-7-13(9-16)14(15)8-12;1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;1-8-2-4-9(5-3-8)10-6-11(14)13(16)12(15)7-10;1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11/h10-11,13-16H,2-9H2,1H3;10-12,14-17H,2-9H2,1H3;4-5,8-9,15,17,19-20H,2-3,6-7,10-13H2,1H3;10-15H,2-9H2,1H3;10-16H,2-9H2,1H3;6-7,9-10H,2-5H2,1H3;6-8,10-11H,2-5H2,1H3;4-5,8-9,11,13H,2-3,6-7H2,1H3;6-9H,2-5H2,1H3;6-10H,2-5H2,1H3.

What are the key properties of 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene?

1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 2591.50 g/mol, XLogP of 50.29, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-4-(4-methylcyclohexyl)benzene;2,6-difluoro-4-(4-methylcyclohexyl)benzonitrile;1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;2-fluoro-4-(4-methylcyclohexyl)benzonitrile;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;4-(4-methylcyclohexyl)benzonitrile;4-[4-(4-methylcyclohexyl)cyclohexyl]benzonitrile;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 158597193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).