2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

C117H171F9O — CID 157276732

About 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 157276732) has the molecular formula C117H171F9O and a molecular weight of 1764.64 g/mol. Its IUPAC name is 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

• Compound Name: 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
• PubChem CID: 157276732
• Molecular Formula: C117H171F9O
• Molecular Weight: 1764.64 g/mol
• Exact Mass: 1763.32
• IUPAC Name: 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
• SMILES: C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(c2ccc(C3CCC(C4CCC(CC)CC4)CC3)c(F)c2)CC1.CCCCCC1CCC(C2CCC(c3ccc(C4CCC(CCC)CC4)cc3F)CC2)CC1.CCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C32H51F.C29H45F.C21H13F7O.C18H32.C17H30/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28;1-3-5-22-8-12-25(13-9-22)27-18-19-28(29(30)20-27)26-16-14-24(15-17-26)23-10-6-21(4-2)7-11-23;1-2-11-3-5-12(6-4-11)13-7-15(22)19(16(23)8-13)21(27,28)29-14-9-17(24)20(26)18(25)10-14;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h21-29H,3-20H2,1-2H3;18-26H,3-17H2,1-2H3;3-10H,2H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;4,14-17H,2-3,5-13H2,1H3/b;;;5-3+
• InChIKey: AZERMHLVKGWSKR-SIIQDPLBSA-N
• XLogP: 38.25
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 28
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1764.64
LogP ≤ 5	38.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?

The IUPAC name of 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (CID 157276732) is 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.

What is the SMILES notation for 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?

The canonical SMILES for 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(c2ccc(C3CCC(C4CCC(CC)CC4)CC3)c(F)c2)CC1.CCCCCC1CCC(C2CCC(c3ccc(C4CCC(CCC)CC4)cc3F)CC2)CC1.CCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?

The InChIKey is AZERMHLVKGWSKR-SIIQDPLBSA-N. The full InChI is InChI=1S/C32H51F.C29H45F.C21H13F7O.C18H32.C17H30/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28;1-3-5-22-8-12-25(13-9-22)27-18-19-28(29(30)20-27)26-16-14-24(15-17-26)23-10-6-21(4-2)7-11-23;1-2-11-3-5-12(6-4-11)13-7-15(22)19(16(23)8-13)21(27,28)29-14-9-17(24)20(26)18(25)10-14;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h21-29H,3-20H2,1-2H3;18-26H,3-17H2,1-2H3;3-10H,2H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;4,14-17H,2-3,5-13H2,1H3/b;;;5-3+;.

What are the key properties of 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 1764.64 g/mol, XLogP of 38.25, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-(4-propylcyclohexyl)benzene;2-fluoro-1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 157276732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).