1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene

C40H20F24 — CID 102210835

IUPAC1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(/C=C/C2C(c3ccc(C(F)(F)F)cc3C(F)(F)F)C(/C=C/c3ccc(C(F)(F)F)cc3C(F)(F)F)C2c2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C40H20F24/c41-33(42,43)19-5-1-17(27(13-19)37(53,54)55)3-9-25-31(23-11-7-21(35(47,48)49)15-29(23)39(59,60)61)26(10-4-18-2-6-20(34(44,45)46)14-28(18)38(56,57)58)32(25)24-12-8-22(36(50,51)52)16-30(24)40(62,63)64/h1-16,25-26,31-32H/b9-3+,10-4+
InChIKeyYGQXZFGQOPPJND-LQIBPGRFSA-N
MW956.55 g/mol
LogP16.38
Rot. Bonds6

About 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene

1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene (PubChem CID 102210835) has the molecular formula C40H20F24 and a molecular weight of 956.55 g/mol. Its IUPAC name is 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene
PubChem CID102210835
Molecular FormulaC40H20F24
Molecular Weight956.55 g/mol
Exact Mass956.12
IUPAC Name1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(/C=C/C2C(c3ccc(C(F)(F)F)cc3C(F)(F)F)C(/C=C/c3ccc(C(F)(F)F)cc3C(F)(F)F)C2c2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C40H20F24/c41-33(42,43)19-5-1-17(27(13-19)37(53,54)55)3-9-25-31(23-11-7-21(35(47,48)49)15-29(23)39(59,60)61)26(10-4-18-2-6-20(34(44,45)46)14-28(18)38(56,57)58)32(25)24-12-8-22(36(50,51)52)16-30(24)40(62,63)64/h1-16,25-26,31-32H/b9-3+,10-4+
InChIKeyYGQXZFGQOPPJND-LQIBPGRFSA-N
XLogP16.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.55
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene (CID 102210835) is 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(/C=C/C2C(c3ccc(C(F)(F)F)cc3C(F)(F)F)C(/C=C/c3ccc(C(F)(F)F)cc3C(F)(F)F)C2c2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene?
The InChIKey is YGQXZFGQOPPJND-LQIBPGRFSA-N. The full InChI is InChI=1S/C40H20F24/c41-33(42,43)19-5-1-17(27(13-19)37(53,54)55)3-9-25-31(23-11-7-21(35(47,48)49)15-29(23)39(59,60)61)26(10-4-18-2-6-20(34(44,45)46)14-28(18)38(56,57)58)32(25)24-12-8-22(36(50,51)52)16-30(24)40(62,63)64/h1-16,25-26,31-32H/b9-3+,10-4+.
What are the key properties of 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene?
1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene has a molecular weight of 956.55 g/mol, XLogP of 16.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[2,4-bis[2,4-bis(trifluoromethyl)phenyl]-3-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]cyclobutyl]ethenyl]-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 102210835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).