1,4-difluoro-2-(3-iodophenyl)benzene

C12H7F2I — CID 143253816

IUPAC1,4-difluoro-2-(3-iodophenyl)benzene
SMILESFc1ccc(F)c(-c2cccc(I)c2)c1
InChIInChI=1S/C12H7F2I/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(15)6-8/h1-7H
InChIKeyBNBVMJXELZRNMJ-UHFFFAOYSA-N
MW316.09 g/mol
LogP4.24
Rot. Bonds1

About 1,4-difluoro-2-(3-iodophenyl)benzene

1,4-difluoro-2-(3-iodophenyl)benzene (PubChem CID 143253816) has the molecular formula C12H7F2I and a molecular weight of 316.09 g/mol. Its IUPAC name is 1,4-difluoro-2-(3-iodophenyl)benzene.

Molecular Properties

Compound Name1,4-difluoro-2-(3-iodophenyl)benzene
PubChem CID143253816
Molecular FormulaC12H7F2I
Molecular Weight316.09 g/mol
Exact Mass315.96
IUPAC Name1,4-difluoro-2-(3-iodophenyl)benzene
SMILESFc1ccc(F)c(-c2cccc(I)c2)c1
InChIInChI=1S/C12H7F2I/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(15)6-8/h1-7H
InChIKeyBNBVMJXELZRNMJ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 54.24
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 1,4-difluoro-2-(3-iodophenyl)benzene?
The IUPAC name of 1,4-difluoro-2-(3-iodophenyl)benzene (CID 143253816) is 1,4-difluoro-2-(3-iodophenyl)benzene.
What is the SMILES notation for 1,4-difluoro-2-(3-iodophenyl)benzene?
The canonical SMILES for 1,4-difluoro-2-(3-iodophenyl)benzene is Fc1ccc(F)c(-c2cccc(I)c2)c1.
What is the InChIKey of 1,4-difluoro-2-(3-iodophenyl)benzene?
The InChIKey is BNBVMJXELZRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2I/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(15)6-8/h1-7H.
What are the key properties of 1,4-difluoro-2-(3-iodophenyl)benzene?
1,4-difluoro-2-(3-iodophenyl)benzene has a molecular weight of 316.09 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(3-iodophenyl)benzene is sourced from PubChem (CID 143253816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).