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

C24H16F6 — CID 23625068

IUPAC1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1cccc(/C=C/c2ccc(/C=C/c3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C24H16F6/c25-23(26,27)21-5-1-3-19(15-21)13-11-17-7-9-18(10-8-17)12-14-20-4-2-6-22(16-20)24(28,29)30/h1-16H/b13-11+,14-12+
InChIKeyUQWOKXLFXDWFJH-PHEQNACWSA-N
MW418.38 g/mol
LogP8.06
Rot. Bonds4

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

1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 23625068) has the molecular formula C24H16F6 and a molecular weight of 418.38 g/mol. Its IUPAC name is 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID23625068
Molecular FormulaC24H16F6
Molecular Weight418.38 g/mol
Exact Mass418.12
IUPAC Name1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1cccc(/C=C/c2ccc(/C=C/c3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C24H16F6/c25-23(26,27)21-5-1-3-19(15-21)13-11-17-7-9-18(10-8-17)12-14-20-4-2-6-22(16-20)24(28,29)30/h1-16H/b13-11+,14-12+
InChIKeyUQWOKXLFXDWFJH-PHEQNACWSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

M-Terphenyl
CID 7076
p-Terphenyl
CID 7115
Triphenylethylene
CID 6025
Trityl hexafluorophosphate
CID 2723954
Triphenylcarbenium tetrafluoroborate
CID 2723955
4-Trifluoromethylbiphenyl
CID 9877863
p-Terphenyl-d14
CID 123128
(E)-3,4',5-Tris(trifluoromethyl)stilbene
CID 10407651
1,3-bis(trifluoromethyl)-5-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11153316
Tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene, 2,2,3,3,8,8,9,9,-octafluoro-
CID 137896
4-(4-Ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 1715558
3,3'-Methylenebis(alpha,alpha,alpha-trifluorotoluene
CID 145114

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene (CID 23625068) is 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene is FC(F)(F)c1cccc(/C=C/c2ccc(/C=C/c3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is UQWOKXLFXDWFJH-PHEQNACWSA-N. The full InChI is InChI=1S/C24H16F6/c25-23(26,27)21-5-1-3-19(15-21)13-11-17-7-9-18(10-8-17)12-14-20-4-2-6-22(16-20)24(28,29)30/h1-16H/b13-11+,14-12+.
What are the key properties of 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 418.38 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 23625068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).