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

C15H10F4 — CID 139790652

IUPAC4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene
SMILESCc1ccc(/C(F)=C(\F)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H10F4/c1-9-2-4-10(5-3-9)14(18)15(19)11-6-7-12(16)13(17)8-11/h2-8H,1H3/b15-14+
InChIKeyOWHLWRRPYZUSFI-CCEZHUSRSA-N
MW266.24 g/mol
LogP5.04
Rot. Bonds2

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

4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene (PubChem CID 139790652) has the molecular formula C15H10F4 and a molecular weight of 266.24 g/mol. Its IUPAC name is 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene
PubChem CID139790652
Molecular FormulaC15H10F4
Molecular Weight266.24 g/mol
Exact Mass266.07
IUPAC Name4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene
SMILESCc1ccc(/C(F)=C(\F)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H10F4/c1-9-2-4-10(5-3-9)14(18)15(19)11-6-7-12(16)13(17)8-11/h2-8H,1H3/b15-14+
InChIKeyOWHLWRRPYZUSFI-CCEZHUSRSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.24
LogP ≤ 55.04
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

5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 139790731
4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
CID 139790694
4-[2-[4-[(E)-but-2-enyl]phenyl]-1,2-difluoroethenyl]-1,2-difluorobenzene
CID 175685026
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
5-[(E)-1,2-difluoro-2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 134445114
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene
CID 139790681
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
CID 139790656
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene (CID 139790652) is 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene is Cc1ccc(/C(F)=C(\F)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene?
The InChIKey is OWHLWRRPYZUSFI-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H10F4/c1-9-2-4-10(5-3-9)14(18)15(19)11-6-7-12(16)13(17)8-11/h2-8H,1H3/b15-14+.
What are the key properties of 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene?
4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene has a molecular weight of 266.24 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene is sourced from PubChem (CID 139790652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).