2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene

C19H14FI — CID 130468833

IUPAC2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(I)cc3)c(F)c2)cc1
InChIInChI=1S/C19H14FI/c1-13-2-4-14(5-3-13)16-8-11-18(19(20)12-16)15-6-9-17(21)10-7-15/h2-12H,1H3
InChIKeyYNYJJYYDDJHXBE-UHFFFAOYSA-N
MW388.22 g/mol
LogP6.07
Rot. Bonds2

About 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene

2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene (PubChem CID 130468833) has the molecular formula C19H14FI and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
PubChem CID130468833
Molecular FormulaC19H14FI
Molecular Weight388.22 g/mol
Exact Mass388.01
IUPAC Name2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(I)cc3)c(F)c2)cc1
InChIInChI=1S/C19H14FI/c1-13-2-4-14(5-3-13)16-8-11-18(19(20)12-16)15-6-9-17(21)10-7-15/h2-12H,1H3
InChIKeyYNYJJYYDDJHXBE-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.22
LogP ≤ 56.07
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

2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
1,3-difluoro-5-[3-fluoro-4-(4-iodophenyl)phenyl]-2-propylbenzene
CID 10994061
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene
CID 70907482
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2-fluoro-1-(3-fluoro-4-isothiocyanatophenyl)-4-(4-iodophenyl)benzene
CID 154936495
4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
CID 144502966
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzonitrile
CID 90211912

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene?
The IUPAC name of 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene (CID 130468833) is 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene?
The canonical SMILES for 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(-c3ccc(I)cc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene?
The InChIKey is YNYJJYYDDJHXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FI/c1-13-2-4-14(5-3-13)16-8-11-18(19(20)12-16)15-6-9-17(21)10-7-15/h2-12H,1H3.
What are the key properties of 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene?
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene has a molecular weight of 388.22 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene is sourced from PubChem (CID 130468833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).