1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene

C24H16F6O2 — CID 23625072

IUPAC1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
SMILESFC(F)(F)Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H16F6O2/c25-23(26,27)31-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)32-24(28,29)30/h1-16H/b7-5+,8-6+
InChIKeyTUQFWXWEQKVVOY-KQQUZDAGSA-N
MW450.38 g/mol
LogP7.82
Rot. Bonds6

About 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene

1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene (PubChem CID 23625072) has the molecular formula C24H16F6O2 and a molecular weight of 450.38 g/mol. Its IUPAC name is 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
PubChem CID23625072
Molecular FormulaC24H16F6O2
Molecular Weight450.38 g/mol
Exact Mass450.11
IUPAC Name1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
SMILESFC(F)(F)Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H16F6O2/c25-23(26,27)31-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)32-24(28,29)30/h1-16H/b7-5+,8-6+
InChIKeyTUQFWXWEQKVVOY-KQQUZDAGSA-N
XLogP7.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
N,N-bis[4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]aniline
CID 143481047
(E)-4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 87333465
4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 90952053
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
CID 141125841
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
The IUPAC name of 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene (CID 23625072) is 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
The canonical SMILES for 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene is FC(F)(F)Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
The InChIKey is TUQFWXWEQKVVOY-KQQUZDAGSA-N. The full InChI is InChI=1S/C24H16F6O2/c25-23(26,27)31-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)32-24(28,29)30/h1-16H/b7-5+,8-6+.
What are the key properties of 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene?
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene has a molecular weight of 450.38 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene is sourced from PubChem (CID 23625072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).