[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate

C120H98F8O26 — CID 159536784

About [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate

[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate (PubChem CID 159536784) has the molecular formula C120H98F8O26 and a molecular weight of 2108.06 g/mol. Its IUPAC name is [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate.

Molecular Properties

• Compound Name: [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate
• PubChem CID: 159536784
• Molecular Formula: C120H98F8O26
• Molecular Weight: 2108.06 g/mol
• Exact Mass: 2106.62
• IUPAC Name: [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate
• SMILES: C=C(C)C(=O)OCCC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(F)c2)c(F)c1F.C=CC(=O)Oc1ccc(-c2cc(F)c(OC(=O)C=C)c(F)c2)c(F)c1F
• InChI: InChI=1S/C23H22O6.C21H20O4.C20H18O4.C19H12F4O4.C19H16O4.C18H10F4O4/c1-15(2)22(25)27-14-13-21(24)28-19-9-5-17(6-10-19)18-7-11-20(12-8-18)29-23(26)16(3)4;1-3-20(22)24-15-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)25-21(23)4-2;1-3-19(21)23-14-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)24-20(22)4-2;1-4-15(24)26-14-6-5-11(16(22)17(14)23)10-7-12(20)18(13(21)8-10)27-19(25)9(2)3;1-3-18(20)22-13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)23-19(21)4-2;1-3-14(23)25-13-6-5-10(16(21)17(13)22)9-7-11(19)18(12(20)8-9)26-15(24)4-2/h5-12H,1,3,13-14H2,2,4H3;3-4,7-14H,1-2,5-6,15H2;3-12H,1-2,13-14H2;4-8H,1-2H2,3H3;3-12H,1-2,13H2;3-8H,1-2H2
• InChIKey: MDRQXRZAAOAGGN-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 341.90 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.06
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate?

The IUPAC name of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate (CID 159536784) is [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate.

What is the SMILES notation for [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate?

The canonical SMILES for [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate is C=C(C)C(=O)OCCC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(F)c2)c(F)c1F.C=CC(=O)Oc1ccc(-c2cc(F)c(OC(=O)C=C)c(F)c2)c(F)c1F.

What is the InChIKey of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate?

The InChIKey is MDRQXRZAAOAGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6.C21H20O4.C20H18O4.C19H12F4O4.C19H16O4.C18H10F4O4/c1-15(2)22(25)27-14-13-21(24)28-19-9-5-17(6-10-19)18-7-11-20(12-8-18)29-23(26)16(3)4;1-3-20(22)24-15-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)25-21(23)4-2;1-3-19(21)23-14-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)24-20(22)4-2;1-4-15(24)26-14-6-5-11(16(22)17(14)23)10-7-12(20)18(13(21)8-10)27-19(25)9(2)3;1-3-18(20)22-13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)23-19(21)4-2;1-3-14(23)25-13-6-5-10(16(21)17(13)22)9-7-11(19)18(12(20)8-9)26-15(24)4-2/h5-12H,1,3,13-14H2,2,4H3;3-4,7-14H,1-2,5-6,15H2;3-12H,1-2,13-14H2;4-8H,1-2H2,3H3;3-12H,1-2,13H2;3-8H,1-2H2.

What are the key properties of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate?

[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate has a molecular weight of 2108.06 g/mol, XLogP of 24.32, 39 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate is sourced from PubChem (CID 159536784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).