[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate

C165H186F12O18S6 — CID 158032377

About [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate

[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate (PubChem CID 158032377) has the molecular formula C165H186F12O18S6 and a molecular weight of 2877.66 g/mol. Its IUPAC name is [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate.

Molecular Properties

• Compound Name: [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate
• PubChem CID: 158032377
• Molecular Formula: C165H186F12O18S6
• Molecular Weight: 2877.66 g/mol
• Exact Mass: 2875.18
• IUPAC Name: [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate
• SMILES: C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3CC)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3CC)oc2c1
• InChI: InChI=1S/C32H40F2O3S.C31H38F2O3S.C27H30F2O3S.C26H28F2O3S.C25H26F2O3S.C24H24F2O3S/c1-5-7-8-11-24-12-15-28(25(6-2)20-24)30-21-26-13-14-27(22-29(26)37-30)38-19-10-17-32(33,34)16-9-18-36-31(35)23(3)4;1-4-7-8-11-23-12-15-27(24(5-2)20-23)29-21-25-13-14-26(22-28(25)36-29)37-19-10-17-31(32,33)16-9-18-35-30(34)6-3;1-4-20-9-5-6-10-23(20)25-17-21-11-12-22(18-24(21)32-25)33-16-8-14-27(28,29)13-7-15-31-26(30)19(2)3;1-3-19-9-5-6-10-22(19)24-17-20-11-12-21(18-23(20)31-24)32-16-8-14-26(27,28)13-7-15-30-25(29)4-2;1-18(2)24(28)29-14-6-12-25(26,27)13-7-15-31-21-11-10-20-16-22(30-23(20)17-21)19-8-4-3-5-9-19;1-2-23(27)28-14-6-12-24(25,26)13-7-15-30-20-11-10-19-16-21(29-22(19)17-20)18-8-4-3-5-9-18/h12-15,20-22H,3,5-11,16-19H2,1-2,4H3;6,12-15,20-22H,3-5,7-11,16-19H2,1-2H3;5-6,9-12,17-18H,2,4,7-8,13-16H2,1,3H3;4-6,9-12,17-18H,2-3,7-8,13-16H2,1H3;3-5,8-11,16-17H,1,6-7,12-15H2,2H3;2-5,8-11,16-17H,1,6-7,12-15H2
• InChIKey: FHIIXANBKKFONS-UHFFFAOYSA-N
• XLogP: 49.59
• TPSA: 236.64 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 78
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2877.66
LogP ≤ 5	49.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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'}

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate?

The IUPAC name of [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate (CID 158032377) is [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate.

What is the SMILES notation for [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate?

The canonical SMILES for [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate is C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3CC)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccccc3CC)oc2c1.

What is the InChIKey of [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate?

The InChIKey is FHIIXANBKKFONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2O3S.C31H38F2O3S.C27H30F2O3S.C26H28F2O3S.C25H26F2O3S.C24H24F2O3S/c1-5-7-8-11-24-12-15-28(25(6-2)20-24)30-21-26-13-14-27(22-29(26)37-30)38-19-10-17-32(33,34)16-9-18-36-31(35)23(3)4;1-4-7-8-11-23-12-15-27(24(5-2)20-23)29-21-25-13-14-26(22-28(25)36-29)37-19-10-17-31(32,33)16-9-18-35-30(34)6-3;1-4-20-9-5-6-10-23(20)25-17-21-11-12-22(18-24(21)32-25)33-16-8-14-27(28,29)13-7-15-31-26(30)19(2)3;1-3-19-9-5-6-10-22(19)24-17-20-11-12-21(18-23(20)31-24)32-16-8-14-26(27,28)13-7-15-30-25(29)4-2;1-18(2)24(28)29-14-6-12-25(26,27)13-7-15-31-21-11-10-20-16-22(30-23(20)17-21)19-8-4-3-5-9-19;1-2-23(27)28-14-6-12-24(25,26)13-7-15-30-20-11-10-19-16-21(29-22(19)17-20)18-8-4-3-5-9-18/h12-15,20-22H,3,5-11,16-19H2,1-2,4H3;6,12-15,20-22H,3-5,7-11,16-19H2,1-2H3;5-6,9-12,17-18H,2,4,7-8,13-16H2,1,3H3;4-6,9-12,17-18H,2-3,7-8,13-16H2,1H3;3-5,8-11,16-17H,1,6-7,12-15H2,2H3;2-5,8-11,16-17H,1,6-7,12-15H2.

What are the key properties of [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate?

[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate has a molecular weight of 2877.66 g/mol, XLogP of 49.59, 78 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-phenyl-1-benzofuran-6-yl)sulfanyl]heptyl] prop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2-ethylphenyl)-1-benzofuran-6-yl]sulfanyl]-4,4-difluoroheptyl] prop-2-enoate is sourced from PubChem (CID 158032377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).