5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

C72H84F10O — CID 144714464

About 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 144714464) has the molecular formula C72H84F10O and a molecular weight of 1155.44 g/mol. Its IUPAC name is 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

• Compound Name: 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• PubChem CID: 144714464
• Molecular Formula: C72H84F10O
• Molecular Weight: 1155.44 g/mol
• Exact Mass: 1154.64
• IUPAC Name: 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• SMILES: CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
• InChI: InChI=1S/C27H32F4.C23H23F.C22H29F5O/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22;1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26,27)28-18-12-19(23)21(25)20(24)13-18/h12-20H,2-11H2,1H3;6-16H,3-5H2,1-2H3;12-17H,2-11H2,1H3
• InChIKey: OBUUMRQRJILDMT-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.44
LogP ≤ 5	22.95
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 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The IUPAC name of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (CID 144714464) is 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

What is the SMILES notation for 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The canonical SMILES for 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.

What is the InChIKey of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The InChIKey is OBUUMRQRJILDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4.C23H23F.C22H29F5O/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22;1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26,27)28-18-12-19(23)21(25)20(24)13-18/h12-20H,2-11H2,1H3;6-16H,3-5H2,1-2H3;12-17H,2-11H2,1H3.

What are the key properties of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 1155.44 g/mol, XLogP of 22.95, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 144714464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).