2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene

C18H10F3I — CID 70907482

IUPAC2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene
SMILESFc1ccc(-c2ccc(-c3ccc(I)cc3F)cc2F)cc1
InChIInChI=1S/C18H10F3I/c19-13-4-1-11(2-5-13)15-7-3-12(9-17(15)20)16-8-6-14(22)10-18(16)21/h1-10H
InChIKeyNJJAVXRCIYWTEQ-UHFFFAOYSA-N
MW410.18 g/mol
LogP6.04
Rot. Bonds2

About 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene

2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene (PubChem CID 70907482) has the molecular formula C18H10F3I and a molecular weight of 410.18 g/mol. Its IUPAC name is 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene.

Molecular Properties

Compound Name2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene
PubChem CID70907482
Molecular FormulaC18H10F3I
Molecular Weight410.18 g/mol
Exact Mass409.98
IUPAC Name2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene
SMILESFc1ccc(-c2ccc(-c3ccc(I)cc3F)cc2F)cc1
InChIInChI=1S/C18H10F3I/c19-13-4-1-11(2-5-13)15-7-3-12(9-17(15)20)16-8-6-14(22)10-18(16)21/h1-10H
InChIKeyNJJAVXRCIYWTEQ-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.18
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene?
The IUPAC name of 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene (CID 70907482) is 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene.
What is the SMILES notation for 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene?
The canonical SMILES for 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene is Fc1ccc(-c2ccc(-c3ccc(I)cc3F)cc2F)cc1.
What is the InChIKey of 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene?
The InChIKey is NJJAVXRCIYWTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3I/c19-13-4-1-11(2-5-13)15-7-3-12(9-17(15)20)16-8-6-14(22)10-18(16)21/h1-10H.
What are the key properties of 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene?
2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene has a molecular weight of 410.18 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-iodobenzene is sourced from PubChem (CID 70907482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).