1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene

C23H20F2 — CID 139790656

IUPAC1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
SMILESCCc1ccc(-c2ccc(/C(F)=C(\F)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H20F2/c1-3-17-6-10-18(11-7-17)19-12-14-21(15-13-19)23(25)22(24)20-8-4-16(2)5-9-20/h4-15H,3H2,1-2H3/b23-22+
InChIKeyZKFYYJVHUIIGDZ-GHVJWSGMSA-N
MW334.41 g/mol
LogP6.99
Rot. Bonds4

About 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene

1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene (PubChem CID 139790656) has the molecular formula C23H20F2 and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
PubChem CID139790656
Molecular FormulaC23H20F2
Molecular Weight334.41 g/mol
Exact Mass334.15
IUPAC Name1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
SMILESCCc1ccc(-c2ccc(/C(F)=C(\F)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H20F2/c1-3-17-6-10-18(11-7-17)19-12-14-21(15-13-19)23(25)22(24)20-8-4-16(2)5-9-20/h4-15H,3H2,1-2H3/b23-22+
InChIKeyZKFYYJVHUIIGDZ-GHVJWSGMSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.41
LogP ≤ 56.99
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

ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
CID 70028026
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
4-(4-ethylphenyl)benzamide
CID 53425878
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene (CID 139790656) is 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene is CCc1ccc(-c2ccc(/C(F)=C(\F)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene?
The InChIKey is ZKFYYJVHUIIGDZ-GHVJWSGMSA-N. The full InChI is InChI=1S/C23H20F2/c1-3-17-6-10-18(11-7-17)19-12-14-21(15-13-19)23(25)22(24)20-8-4-16(2)5-9-20/h4-15H,3H2,1-2H3/b23-22+.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene?
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene has a molecular weight of 334.41 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene is sourced from PubChem (CID 139790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).