1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane

C76H66F16O4 — CID 176646175

IUPAC1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane
SMILESC=Cc1c(F)c(F)c(Oc2ccc(C3(c4ccc(Oc5c(F)c(F)c(-c6c(F)c(F)c(Oc7ccc(C8(c9ccc(Oc%10c(F)c(F)c(C=C)c(F)c%10F)cc9)CCCCCCCCCCC8)cc7)c(F)c6F)c(F)c5F)cc4)CCCCCCCCCCC3)cc2)c(F)c1F
InChIInChI=1S/C76H66F16O4/c1-3-51-55(77)63(85)71(64(86)56(51)78)93-47-31-23-43(24-32-47)75(39-19-15-11-7-5-8-12-16-20-40-75)45-27-35-49(36-28-45)95-73-67(89)59(81)53(60(82)68(73)90)54-61(83)69(91)74(70(92)62(54)84)96-50-37-29-46(30-38-50)76(41-21-17-13-9-6-10-14-18-22-42-76)44-25-33-48(34-26-44)94-72-65(87)57(79)52(4-2)58(80)66(72)88/h3-4,23-38H,1-2,5-22,39-42H2
InChIKeyYDWYAMSWBQTBFG-UHFFFAOYSA-N
MW1347.33 g/mol
LogP25.22
Rot. Bonds15

About 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane

1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane (PubChem CID 176646175) has the molecular formula C76H66F16O4 and a molecular weight of 1347.33 g/mol. Its IUPAC name is 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane.

Molecular Properties

Compound Name1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane
PubChem CID176646175
Molecular FormulaC76H66F16O4
Molecular Weight1347.33 g/mol
Exact Mass1346.47
IUPAC Name1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane
SMILESC=Cc1c(F)c(F)c(Oc2ccc(C3(c4ccc(Oc5c(F)c(F)c(-c6c(F)c(F)c(Oc7ccc(C8(c9ccc(Oc%10c(F)c(F)c(C=C)c(F)c%10F)cc9)CCCCCCCCCCC8)cc7)c(F)c6F)c(F)c5F)cc4)CCCCCCCCCCC3)cc2)c(F)c1F
InChIInChI=1S/C76H66F16O4/c1-3-51-55(77)63(85)71(64(86)56(51)78)93-47-31-23-43(24-32-47)75(39-19-15-11-7-5-8-12-16-20-40-75)45-27-35-49(36-28-45)95-73-67(89)59(81)53(60(82)68(73)90)54-61(83)69(91)74(70(92)62(54)84)96-50-37-29-46(30-38-50)76(41-21-17-13-9-6-10-14-18-22-42-76)44-25-33-48(34-26-44)94-72-65(87)57(79)52(4-2)58(80)66(72)88/h3-4,23-38H,1-2,5-22,39-42H2
InChIKeyYDWYAMSWBQTBFG-UHFFFAOYSA-N
XLogP25.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.33
LogP ≤ 525.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane?
The IUPAC name of 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane (CID 176646175) is 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane.
What is the SMILES notation for 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane?
The canonical SMILES for 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane is C=Cc1c(F)c(F)c(Oc2ccc(C3(c4ccc(Oc5c(F)c(F)c(-c6c(F)c(F)c(Oc7ccc(C8(c9ccc(Oc%10c(F)c(F)c(C=C)c(F)c%10F)cc9)CCCCCCCCCCC8)cc7)c(F)c6F)c(F)c5F)cc4)CCCCCCCCCCC3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane?
The InChIKey is YDWYAMSWBQTBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H66F16O4/c1-3-51-55(77)63(85)71(64(86)56(51)78)93-47-31-23-43(24-32-47)75(39-19-15-11-7-5-8-12-16-20-40-75)45-27-35-49(36-28-45)95-73-67(89)59(81)53(60(82)68(73)90)54-61(83)69(91)74(70(92)62(54)84)96-50-37-29-46(30-38-50)76(41-21-17-13-9-6-10-14-18-22-42-76)44-25-33-48(34-26-44)94-72-65(87)57(79)52(4-2)58(80)66(72)88/h3-4,23-38H,1-2,5-22,39-42H2.
What are the key properties of 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane?
1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane has a molecular weight of 1347.33 g/mol, XLogP of 25.22, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[4-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]cyclododecyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]cyclododecane is sourced from PubChem (CID 176646175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).