[4-(4-fluorophenoxy)phenyl]-phenyliodanium

C18H13FIO+ — CID 162496484

IUPAC[4-(4-fluorophenoxy)phenyl]-phenyliodanium
SMILESFc1ccc(Oc2ccc([I+]c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13FIO/c19-14-6-10-17(11-7-14)21-18-12-8-16(9-13-18)20-15-4-2-1-3-5-15/h1-13H/q+1
InChIKeyCDFXYTKKAPFHLW-UHFFFAOYSA-N
MW391.20 g/mol
LogP1.75
Rot. Bonds4

About [4-(4-fluorophenoxy)phenyl]-phenyliodanium

[4-(4-fluorophenoxy)phenyl]-phenyliodanium (PubChem CID 162496484) has the molecular formula C18H13FIO+ and a molecular weight of 391.20 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)phenyl]-phenyliodanium.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)phenyl]-phenyliodanium
PubChem CID162496484
Molecular FormulaC18H13FIO+
Molecular Weight391.20 g/mol
Exact Mass391.00
IUPAC Name[4-(4-fluorophenoxy)phenyl]-phenyliodanium
SMILESFc1ccc(Oc2ccc([I+]c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13FIO/c19-14-6-10-17(11-7-14)21-18-12-8-16(9-13-18)20-15-4-2-1-3-5-15/h1-13H/q+1
InChIKeyCDFXYTKKAPFHLW-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
CID 163937368
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium
CID 162496494
diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
CID 87706296
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium
CID 167331521
2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane
CID 67442762
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium
CID 159038581
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
diphenyliodanium;4-fluorobenzenesulfonate
CID 22935103
diphenyliodanium;hydroiodide
CID 54604341

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)phenyl]-phenyliodanium?
The IUPAC name of [4-(4-fluorophenoxy)phenyl]-phenyliodanium (CID 162496484) is [4-(4-fluorophenoxy)phenyl]-phenyliodanium.
What is the SMILES notation for [4-(4-fluorophenoxy)phenyl]-phenyliodanium?
The canonical SMILES for [4-(4-fluorophenoxy)phenyl]-phenyliodanium is Fc1ccc(Oc2ccc([I+]c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenoxy)phenyl]-phenyliodanium?
The InChIKey is CDFXYTKKAPFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FIO/c19-14-6-10-17(11-7-14)21-18-12-8-16(9-13-18)20-15-4-2-1-3-5-15/h1-13H/q+1.
What are the key properties of [4-(4-fluorophenoxy)phenyl]-phenyliodanium?
[4-(4-fluorophenoxy)phenyl]-phenyliodanium has a molecular weight of 391.20 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)phenyl]-phenyliodanium is sourced from PubChem (CID 162496484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).