1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene

C21H15F3O — CID 126584325

IUPAC1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
SMILESC=Cc1ccc(-c2ccc(-c3ccc(OC)c(F)c3F)cc2F)cc1
InChIInChI=1S/C21H15F3O/c1-3-13-4-6-14(7-5-13)16-9-8-15(12-18(16)22)17-10-11-19(25-2)21(24)20(17)23/h3-12H,1H2,2H3
InChIKeyVEBHFRDBLGFRRG-UHFFFAOYSA-N
MW340.34 g/mol
LogP6.09
Rot. Bonds4

About 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene

1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene (PubChem CID 126584325) has the molecular formula C21H15F3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
PubChem CID126584325
Molecular FormulaC21H15F3O
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
SMILESC=Cc1ccc(-c2ccc(-c3ccc(OC)c(F)c3F)cc2F)cc1
InChIInChI=1S/C21H15F3O/c1-3-13-4-6-14(7-5-13)16-9-8-15(12-18(16)22)17-10-11-19(25-2)21(24)20(17)23/h3-12H,1H2,2H3
InChIKeyVEBHFRDBLGFRRG-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860
1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 77470460
2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
CID 142330852
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 67739029
1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 67730159
4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
CID 89129145
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
CID 44623494
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene
CID 59547448

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene (CID 126584325) is 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene is C=Cc1ccc(-c2ccc(-c3ccc(OC)c(F)c3F)cc2F)cc1.
What is the InChIKey of 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene?
The InChIKey is VEBHFRDBLGFRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O/c1-3-13-4-6-14(7-5-13)16-9-8-15(12-18(16)22)17-10-11-19(25-2)21(24)20(17)23/h3-12H,1H2,2H3.
What are the key properties of 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene?
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene has a molecular weight of 340.34 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 126584325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).