1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene

C32H13F15 — CID 170047716

IUPAC1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene
SMILESC=CC1=C(F)C(C(c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)C(F)=C1F
InChIInChI=1S/C32H13F15/c1-5-9-17(33)13(25(41)18(9)34)32(14-26(42)19(35)10(6-2)20(36)27(14)43,15-28(44)21(37)11(7-3)22(38)29(15)45)16-30(46)23(39)12(8-4)24(40)31(16)47/h5-8,13H,1-4H2
InChIKeyFUGZIVRCNCMDHQ-UHFFFAOYSA-N
MW682.43 g/mol
LogP10.81
Rot. Bonds8

About 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene

1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene (PubChem CID 170047716) has the molecular formula C32H13F15 and a molecular weight of 682.43 g/mol. Its IUPAC name is 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene
PubChem CID170047716
Molecular FormulaC32H13F15
Molecular Weight682.43 g/mol
Exact Mass682.08
IUPAC Name1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene
SMILESC=CC1=C(F)C(C(c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)C(F)=C1F
InChIInChI=1S/C32H13F15/c1-5-9-17(33)13(25(41)18(9)34)32(14-26(42)19(35)10(6-2)20(36)27(14)43,15-28(44)21(37)11(7-3)22(38)29(15)45)16-30(46)23(39)12(8-4)24(40)31(16)47/h5-8,13H,1-4H2
InChIKeyFUGZIVRCNCMDHQ-UHFFFAOYSA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.43
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene (CID 170047716) is 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene is C=CC1=C(F)C(C(c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)C(F)=C1F.
What is the InChIKey of 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene?
The InChIKey is FUGZIVRCNCMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H13F15/c1-5-9-17(33)13(25(41)18(9)34)32(14-26(42)19(35)10(6-2)20(36)27(14)43,15-28(44)21(37)11(7-3)22(38)29(15)45)16-30(46)23(39)12(8-4)24(40)31(16)47/h5-8,13H,1-4H2.
What are the key properties of 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene?
1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene has a molecular weight of 682.43 g/mol, XLogP of 10.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(3-ethenyl-2,4,5-trifluorocyclopenta-2,4-dien-1-yl)methyl]-4-ethenyl-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 170047716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).