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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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).