4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene

C20H13F2I — CID 89129145

IUPAC4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
SMILESC=Cc1ccc(-c2ccc(-c3ccc(I)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C20H13F2I/c1-2-13-3-5-14(6-4-13)15-7-9-17(18(21)11-15)16-8-10-20(23)19(22)12-16/h2-12H,1H2
InChIKeyYOEXVAOYJHXBRN-UHFFFAOYSA-N
MW418.22 g/mol
LogP6.55
Rot. Bonds3

About 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene

4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene (PubChem CID 89129145) has the molecular formula C20H13F2I and a molecular weight of 418.22 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene.

Molecular Properties

Compound Name4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
PubChem CID89129145
Molecular FormulaC20H13F2I
Molecular Weight418.22 g/mol
Exact Mass418.00
IUPAC Name4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
SMILESC=Cc1ccc(-c2ccc(-c3ccc(I)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C20H13F2I/c1-2-13-3-5-14(6-4-13)15-7-9-17(18(21)11-15)16-8-10-20(23)19(22)12-16/h2-12H,1H2
InChIKeyYOEXVAOYJHXBRN-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.22
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
CID 171595464
1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
CID 44623494
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
4-(4-ethenyl-2-fluorophenyl)aniline
CID 174631918
6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847194
[4-(4-ethenylphenyl)-2-fluorophenyl]methanol
CID 89129319
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylphenyl)phenyl]phenyl]benzene
CID 69096700
2-bromo-4-ethenyl-1-[3-(4-ethenylphenyl)phenyl]benzene
CID 175925453
3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]benzaldehyde
CID 86708833

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene?
The IUPAC name of 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene (CID 89129145) is 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene.
What is the SMILES notation for 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene?
The canonical SMILES for 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene is C=Cc1ccc(-c2ccc(-c3ccc(I)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene?
The InChIKey is YOEXVAOYJHXBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2I/c1-2-13-3-5-14(6-4-13)15-7-9-17(18(21)11-15)16-8-10-20(23)19(22)12-16/h2-12H,1H2.
What are the key properties of 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene?
4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene has a molecular weight of 418.22 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene is sourced from PubChem (CID 89129145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).