1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene

C21H15F4I — CID 10983546

IUPAC1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene
SMILESCCCc1ccc(-c2c(F)cc(-c3ccc(I)c(F)c3F)cc2F)cc1
InChIInChI=1S/C21H15F4I/c1-2-3-12-4-6-13(7-5-12)19-16(22)10-14(11-17(19)23)15-8-9-18(26)21(25)20(15)24/h4-11H,2-3H2,1H3
InChIKeyWBZAFNOHLUUOIW-UHFFFAOYSA-N
MW470.25 g/mol
LogP7.13
Rot. Bonds4

About 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene

1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene (PubChem CID 10983546) has the molecular formula C21H15F4I and a molecular weight of 470.25 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene
PubChem CID10983546
Molecular FormulaC21H15F4I
Molecular Weight470.25 g/mol
Exact Mass470.02
IUPAC Name1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene
SMILESCCCc1ccc(-c2c(F)cc(-c3ccc(I)c(F)c3F)cc2F)cc1
InChIInChI=1S/C21H15F4I/c1-2-3-12-4-6-13(7-5-12)19-16(22)10-14(11-17(19)23)15-8-9-18(26)21(25)20(15)24/h4-11H,2-3H2,1H3
InChIKeyWBZAFNOHLUUOIW-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.25
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-3-iodobenzene
CID 122546409
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
2-fluoro-4-iodo-1-(4-propylphenyl)benzene
CID 150911795
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene?
The IUPAC name of 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene (CID 10983546) is 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene.
What is the SMILES notation for 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene?
The canonical SMILES for 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene is CCCc1ccc(-c2c(F)cc(-c3ccc(I)c(F)c3F)cc2F)cc1.
What is the InChIKey of 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene?
The InChIKey is WBZAFNOHLUUOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4I/c1-2-3-12-4-6-13(7-5-12)19-16(22)10-14(11-17(19)23)15-8-9-18(26)21(25)20(15)24/h4-11H,2-3H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene?
1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene has a molecular weight of 470.25 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene is sourced from PubChem (CID 10983546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).