2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene

C15H13F2I — CID 25223670

IUPAC2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
SMILESFc1ccc(-c2ccc(CCCI)cc2)c(F)c1
InChIInChI=1S/C15H13F2I/c16-13-7-8-14(15(17)10-13)12-5-3-11(4-6-12)2-1-9-18/h3-8,10H,1-2,9H2
InChIKeyGJMUMIJXKFGFQQ-UHFFFAOYSA-N
MW358.17 g/mol
LogP5.00
Rot. Bonds4

About 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene

2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene (PubChem CID 25223670) has the molecular formula C15H13F2I and a molecular weight of 358.17 g/mol. Its IUPAC name is 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
PubChem CID25223670
Molecular FormulaC15H13F2I
Molecular Weight358.17 g/mol
Exact Mass358.00
IUPAC Name2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
SMILESFc1ccc(-c2ccc(CCCI)cc2)c(F)c1
InChIInChI=1S/C15H13F2I/c16-13-7-8-14(15(17)10-13)12-5-3-11(4-6-12)2-1-9-18/h3-8,10H,1-2,9H2
InChIKeyGJMUMIJXKFGFQQ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene (CID 25223670) is 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene is Fc1ccc(-c2ccc(CCCI)cc2)c(F)c1.
What is the InChIKey of 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene?
The InChIKey is GJMUMIJXKFGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2I/c16-13-7-8-14(15(17)10-13)12-5-3-11(4-6-12)2-1-9-18/h3-8,10H,1-2,9H2.
What are the key properties of 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene?
2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene has a molecular weight of 358.17 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene is sourced from PubChem (CID 25223670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).