bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)

C133H57F65O12 — CID 160716806

IUPACbis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)
SMILESC=Cc1c(F)c(F)c(F)c(F)c1F.C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(Oc4c(F)c(F)c(C(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(Oc8c(F)c(F)c(C=C)c(F)c8F)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C59H22F28O5.C23H12F10O2.2C15H10F6O2.C13F10O.C8H3F5/c1-3-29-33(60)41(68)50(42(69)34(29)61)89-25-13-5-21(6-14-25)54(56(76,77)78,57(79,80)81)23-9-17-27(18-10-23)91-52-45(72)37(64)31(38(65)46(52)73)49(88)32-39(66)47(74)53(48(75)40(32)67)92-28-19-11-24(12-20-28)55(58(82,83)84,59(85,86)87)22-7-15-26(16-8-22)90-51-43(70)35(62)30(4-2)36(63)44(51)71;1-2-15-16(24)18(26)20(19(27)17(15)25)35-14-9-5-12(6-10-14)21(22(28,29)30,23(31,32)33)11-3-7-13(34)8-4-11;2*16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17;1-2-3-4(9)6(11)8(13)7(12)5(3)10/h3-20H,1-2H2;2-10,34H,1H2;2*1-8,22-23H;;2H,1H2
InChIKeyRSOPNTIQUWZCEH-UHFFFAOYSA-N
MW3081.78 g/mol
LogP44.57
Rot. Bonds28

About bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)

bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol) (PubChem CID 160716806) has the molecular formula C133H57F65O12 and a molecular weight of 3081.78 g/mol. Its IUPAC name is bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol).

Molecular Properties

Compound Namebis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)
PubChem CID160716806
Molecular FormulaC133H57F65O12
Molecular Weight3081.78 g/mol
Exact Mass3080.28
IUPAC Namebis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)
SMILESC=Cc1c(F)c(F)c(F)c(F)c1F.C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(Oc4c(F)c(F)c(C(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(Oc8c(F)c(F)c(C=C)c(F)c8F)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C59H22F28O5.C23H12F10O2.2C15H10F6O2.C13F10O.C8H3F5/c1-3-29-33(60)41(68)50(42(69)34(29)61)89-25-13-5-21(6-14-25)54(56(76,77)78,57(79,80)81)23-9-17-27(18-10-23)91-52-45(72)37(64)31(38(65)46(52)73)49(88)32-39(66)47(74)53(48(75)40(32)67)92-28-19-11-24(12-20-28)55(58(82,83)84,59(85,86)87)22-7-15-26(16-8-22)90-51-43(70)35(62)30(4-2)36(63)44(51)71;1-2-15-16(24)18(26)20(19(27)17(15)25)35-14-9-5-12(6-10-14)21(22(28,29)30,23(31,32)33)11-3-7-13(34)8-4-11;2*16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17;1-2-3-4(9)6(11)8(13)7(12)5(3)10/h3-20H,1-2H2;2-10,34H,1H2;2*1-8,22-23H;;2H,1H2
InChIKeyRSOPNTIQUWZCEH-UHFFFAOYSA-N
XLogP44.57
TPSA181.44 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003081.78
LogP ≤ 544.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)?
The IUPAC name of bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol) (CID 160716806) is bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol).
What is the SMILES notation for bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)?
The canonical SMILES for bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol) is C=Cc1c(F)c(F)c(F)c(F)c1F.C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(Oc4c(F)c(F)c(C(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(Oc8c(F)c(F)c(C=C)c(F)c8F)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)?
The InChIKey is RSOPNTIQUWZCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H22F28O5.C23H12F10O2.2C15H10F6O2.C13F10O.C8H3F5/c1-3-29-33(60)41(68)50(42(69)34(29)61)89-25-13-5-21(6-14-25)54(56(76,77)78,57(79,80)81)23-9-17-27(18-10-23)91-52-45(72)37(64)31(38(65)46(52)73)49(88)32-39(66)47(74)53(48(75)40(32)67)92-28-19-11-24(12-20-28)55(58(82,83)84,59(85,86)87)22-7-15-26(16-8-22)90-51-43(70)35(62)30(4-2)36(63)44(51)71;1-2-15-16(24)18(26)20(19(27)17(15)25)35-14-9-5-12(6-10-14)21(22(28,29)30,23(31,32)33)11-3-7-13(34)8-4-11;2*16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17;1-2-3-4(9)6(11)8(13)7(12)5(3)10/h3-20H,1-2H2;2-10,34H,1H2;2*1-8,22-23H;;2H,1H2.
What are the key properties of bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol)?
bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol) has a molecular weight of 3081.78 g/mol, XLogP of 44.57, 28 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]methanone;bis(2,3,4,5,6-pentafluorophenyl)methanone;1-ethenyl-2,3,4,5,6-pentafluorobenzene;4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;bis(4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol) is sourced from PubChem (CID 160716806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).