1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene

C19H18F2 — CID 139748692

IUPAC1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene
SMILESCC/C=C/c1ccc(/C(F)=C(/F)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18F2/c1-3-4-5-15-8-12-17(13-9-15)19(21)18(20)16-10-6-14(2)7-11-16/h4-13H,3H2,1-2H3/b5-4+,19-18-
InChIKeyWIDJJHDHEVILKT-BNSIQKBXSA-N
MW284.35 g/mol
LogP6.18
Rot. Bonds4

About 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene

1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 139748692) has the molecular formula C19H18F2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene
PubChem CID139748692
Molecular FormulaC19H18F2
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene
SMILESCC/C=C/c1ccc(/C(F)=C(/F)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18F2/c1-3-4-5-15-8-12-17(13-9-15)19(21)18(20)16-10-6-14(2)7-11-16/h4-13H,3H2,1-2H3/b5-4+,19-18-
InChIKeyWIDJJHDHEVILKT-BNSIQKBXSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.35
LogP ≤ 56.18
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

1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
CID 139790656
methyl 4-but-1-enylbenzoate
CID 69135322
benzene;but-1-enylbenzene
CID 157481332
5-[4-[4-[2-[4-(1,2-difluorohexa-1,3-dienyl)phenyl]ethenyl]-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 123794846
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
(E)-2-methyl-5-(4-methylphenyl)pent-4-en-2-ol
CID 177408870
(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749
(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene
CID 143687875
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene (CID 139748692) is 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene is CC/C=C/c1ccc(/C(F)=C(/F)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is WIDJJHDHEVILKT-BNSIQKBXSA-N. The full InChI is InChI=1S/C19H18F2/c1-3-4-5-15-8-12-17(13-9-15)19(21)18(20)16-10-6-14(2)7-11-16/h4-13H,3H2,1-2H3/b5-4+,19-18-.
What are the key properties of 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene?
1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 284.35 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 139748692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).