1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene

C74H22F36O5 — CID 101190227

About 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene

1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene (PubChem CID 101190227) has the molecular formula C74H22F36O5 and a molecular weight of 1674.91 g/mol. Its IUPAC name is 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene.

Molecular Properties

• Compound Name: 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene
• PubChem CID: 101190227
• Molecular Formula: C74H22F36O5
• Molecular Weight: 1674.91 g/mol
• Exact Mass: 1674.09
• IUPAC Name: 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene
• SMILES: C#Cc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(c5ccc(Oc6c(F)c(F)c(-c7c(F)c(F)c(Oc8ccc(C(c9ccc(Oc%10c(F)c(F)c(-c%11c(F)c(F)cc(F)c%11F)c(F)c%10F)cc9)(C(F)(F)F)C(F)(F)F)cc8)c(F)c7F)c(F)c6F)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(F)c3F)c(F)c2F)c1
• InChI: InChI=1S/C74H22F36O5/c1-2-24-4-3-5-33(22-24)115-68-62(97)52(87)41(53(88)63(68)98)40-50(85)60(95)67(61(96)51(40)86)114-32-20-12-28(13-21-32)70(73(105,106)107,74(108,109)110)27-10-18-31(19-11-27)113-66-58(93)48(83)39(49(84)59(66)94)38-46(81)56(91)65(57(92)47(38)82)112-30-16-8-26(9-17-30)69(71(99,100)101,72(102,103)104)25-6-14-29(15-7-25)111-64-54(89)44(79)37(45(80)55(64)90)36-42(77)34(75)23-35(76)43(36)78/h1,3-23H
• InChIKey: WCADISDSRFWUKH-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1674.91
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene?

The IUPAC name of 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene (CID 101190227) is 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene.

What is the SMILES notation for 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene?

The canonical SMILES for 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene is C#Cc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(c5ccc(Oc6c(F)c(F)c(-c7c(F)c(F)c(Oc8ccc(C(c9ccc(Oc%10c(F)c(F)c(-c%11c(F)c(F)cc(F)c%11F)c(F)c%10F)cc9)(C(F)(F)F)C(F)(F)F)cc8)c(F)c7F)c(F)c6F)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(F)c3F)c(F)c2F)c1.

What is the InChIKey of 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene?

The InChIKey is WCADISDSRFWUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H22F36O5/c1-2-24-4-3-5-33(22-24)115-68-62(97)52(87)41(53(88)63(68)98)40-50(85)60(95)67(61(96)51(40)86)114-32-20-12-28(13-21-32)70(73(105,106)107,74(108,109)110)27-10-18-31(19-11-27)113-66-58(93)48(83)39(49(84)59(66)94)38-46(81)56(91)65(57(92)47(38)82)112-30-16-8-26(9-17-30)69(71(99,100)101,72(102,103)104)25-6-14-29(15-7-25)111-64-54(89)44(79)37(45(80)55(64)90)36-42(77)34(75)23-35(76)43(36)78/h1,3-23H.

What are the key properties of 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene?

1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene has a molecular weight of 1674.91 g/mol, XLogP of 25.79, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethynylphenoxy)-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluorophenyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzene is sourced from PubChem (CID 101190227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).