[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium

C18H12FI2O+ — CID 162496494

IUPAC[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium
SMILESFc1cc(Oc2ccc(I)cc2)cc([I+]c2ccccc2)c1
InChIInChI=1S/C18H12FI2O/c19-13-10-16(21-15-4-2-1-3-5-15)12-18(11-13)22-17-8-6-14(20)7-9-17/h1-12H/q+1
InChIKeyLIPDFXUTPREESS-UHFFFAOYSA-N
MW517.10 g/mol
LogP2.35
Rot. Bonds4

About [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium

[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium (PubChem CID 162496494) has the molecular formula C18H12FI2O+ and a molecular weight of 517.10 g/mol. Its IUPAC name is [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium.

Molecular Properties

Compound Name[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium
PubChem CID162496494
Molecular FormulaC18H12FI2O+
Molecular Weight517.10 g/mol
Exact Mass516.90
IUPAC Name[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium
SMILESFc1cc(Oc2ccc(I)cc2)cc([I+]c2ccccc2)c1
InChIInChI=1S/C18H12FI2O/c19-13-10-16(21-15-4-2-1-3-5-15)12-18(11-13)22-17-8-6-14(20)7-9-17/h1-12H/q+1
InChIKeyLIPDFXUTPREESS-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.10
LogP ≤ 52.35
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

[4-(4-fluorophenoxy)phenyl]-phenyliodanium
CID 162496484
1,3-difluoro-5-phenoxybenzene
CID 13455928
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
(3-fluorophenyl)-phenyliodanium
CID 14290166
bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
CID 163937368
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
CID 87706296
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium?
The IUPAC name of [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium (CID 162496494) is [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium.
What is the SMILES notation for [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium?
The canonical SMILES for [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium is Fc1cc(Oc2ccc(I)cc2)cc([I+]c2ccccc2)c1.
What is the InChIKey of [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium?
The InChIKey is LIPDFXUTPREESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FI2O/c19-13-10-16(21-15-4-2-1-3-5-15)12-18(11-13)22-17-8-6-14(20)7-9-17/h1-12H/q+1.
What are the key properties of [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium?
[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium has a molecular weight of 517.10 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium is sourced from PubChem (CID 162496494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).