[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane

C213H268F14O35 — CID 160563571

About [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane

[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane (PubChem CID 160563571) has the molecular formula C213H268F14O35 and a molecular weight of 3654.42 g/mol. Its IUPAC name is [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane.

Molecular Properties

• Compound Name: [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
• PubChem CID: 160563571
• Molecular Formula: C213H268F14O35
• Molecular Weight: 3654.42 g/mol
• Exact Mass: 3651.90
• IUPAC Name: [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
• SMILES: C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(COC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc3cc(COC(=O)C(=C)C)ccc3c2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(C3CCC(COC(=O)C=C)CC3)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc3cc(COC(=O)C=C)ccc3c2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/C29H26F2O5.C27H24F2O5.C27H34F2O5.C27H22F2O5.C25H20F2O5.C23H22F2O5.C21H18F2O5.17C2H6/c1-19(2)27(32)34-17-21-5-9-23(10-6-21)24-11-13-25(14-12-24)29(30,31)36-26-15-7-22(8-16-26)18-35-28(33)20(3)4;1-17(2)25(30)32-15-19-6-11-24(12-7-19)34-27(28,29)23-10-9-21-13-20(5-8-22(21)14-23)16-33-26(31)18(3)4;2*1-3-25(30)32-17-19-5-9-21(10-6-19)22-11-13-23(14-12-22)27(28,29)34-24-15-7-20(8-16-24)18-33-26(31)4-2;1-3-23(28)30-15-17-6-11-22(12-7-17)32-25(26,27)21-10-9-19-13-18(5-8-20(19)14-21)16-31-24(29)4-2;1-15(2)21(26)28-13-17-5-9-19(10-6-17)23(24,25)30-20-11-7-18(8-12-20)14-29-22(27)16(3)4;1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2;17*1-2/h5-16H,1,3,17-18H2,2,4H3;5-14H,1,3,15-16H2,2,4H3;3-4,7-8,15-16,19,21-23H,1-2,5-6,9-14,17-18H2;3-16H,1-2,17-18H2;3-14H,1-2,15-16H2;5-12H,1,3,13-14H2,2,4H3;3-12H,1-2,13-14H2;17*1-2H3
• InChIKey: QZPYTTOSWXHVGC-UHFFFAOYSA-N
• XLogP: 57.30
• TPSA: 432.81 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 66
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3654.42
LogP ≤ 5	57.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?

The IUPAC name of [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane (CID 160563571) is [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane.

What is the SMILES notation for [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?

The canonical SMILES for [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane is C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(COC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc3cc(COC(=O)C(=C)C)ccc3c2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(C3CCC(COC(=O)C=C)CC3)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc3cc(COC(=O)C=C)ccc3c2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.

What is the InChIKey of [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?

The InChIKey is QZPYTTOSWXHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2O5.C27H24F2O5.C27H34F2O5.C27H22F2O5.C25H20F2O5.C23H22F2O5.C21H18F2O5.17C2H6/c1-19(2)27(32)34-17-21-5-9-23(10-6-21)24-11-13-25(14-12-24)29(30,31)36-26-15-7-22(8-16-26)18-35-28(33)20(3)4;1-17(2)25(30)32-15-19-6-11-24(12-7-19)34-27(28,29)23-10-9-21-13-20(5-8-22(21)14-23)16-33-26(31)18(3)4;2*1-3-25(30)32-17-19-5-9-21(10-6-19)22-11-13-23(14-12-22)27(28,29)34-24-15-7-20(8-16-24)18-33-26(31)4-2;1-3-23(28)30-15-17-6-11-22(12-7-17)32-25(26,27)21-10-9-19-13-18(5-8-20(19)14-21)16-31-24(29)4-2;1-15(2)21(26)28-13-17-5-9-19(10-6-17)23(24,25)30-20-11-7-18(8-12-20)14-29-22(27)16(3)4;1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2;17*1-2/h5-16H,1,3,17-18H2,2,4H3;5-14H,1,3,15-16H2,2,4H3;3-4,7-8,15-16,19,21-23H,1-2,5-6,9-14,17-18H2;3-16H,1-2,17-18H2;3-14H,1-2,15-16H2;5-12H,1,3,13-14H2,2,4H3;3-12H,1-2,13-14H2;17*1-2H3.

What are the key properties of [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?

[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane has a molecular weight of 3654.42 g/mol, XLogP of 57.30, 66 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane is sourced from PubChem (CID 160563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).