4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene

C20H14F2 — CID 171595464

IUPAC4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
SMILESC=Cc1ccc(-c2ccc(-c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C20H14F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2-13H,1H2
InChIKeyYPAYCVREYXOYFG-UHFFFAOYSA-N
MW292.33 g/mol
LogP5.94
Rot. Bonds3

About 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene

4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene (PubChem CID 171595464) has the molecular formula C20H14F2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
PubChem CID171595464
Molecular FormulaC20H14F2
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
SMILESC=Cc1ccc(-c2ccc(-c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C20H14F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2-13H,1H2
InChIKeyYPAYCVREYXOYFG-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene (CID 171595464) is 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene is C=Cc1ccc(-c2ccc(-c3ccc(F)c(F)c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene?
The InChIKey is YPAYCVREYXOYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2-13H,1H2.
What are the key properties of 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene?
4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene has a molecular weight of 292.33 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene is sourced from PubChem (CID 171595464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).