bis(4-chloro-3,5-difluorophenyl)iodanium

C12H4Cl2F4I+ — CID 87391878

IUPACbis(4-chloro-3,5-difluorophenyl)iodanium
SMILESFc1cc([I+]c2cc(F)c(Cl)c(F)c2)cc(F)c1Cl
InChIInChI=1S/C12H4Cl2F4I/c13-11-7(15)1-5(2-8(11)16)19-6-3-9(17)12(14)10(18)4-6/h1-4H/q+1
InChIKeyZSBSUUJQKBBLLA-UHFFFAOYSA-N
MW421.97 g/mol
LogP1.68
Rot. Bonds2

About bis(4-chloro-3,5-difluorophenyl)iodanium

bis(4-chloro-3,5-difluorophenyl)iodanium (PubChem CID 87391878) has the molecular formula C12H4Cl2F4I+ and a molecular weight of 421.97 g/mol. Its IUPAC name is bis(4-chloro-3,5-difluorophenyl)iodanium.

Molecular Properties

Compound Namebis(4-chloro-3,5-difluorophenyl)iodanium
PubChem CID87391878
Molecular FormulaC12H4Cl2F4I+
Molecular Weight421.97 g/mol
Exact Mass420.87
IUPAC Namebis(4-chloro-3,5-difluorophenyl)iodanium
SMILESFc1cc([I+]c2cc(F)c(Cl)c(F)c2)cc(F)c1Cl
InChIInChI=1S/C12H4Cl2F4I/c13-11-7(15)1-5(2-8(11)16)19-6-3-9(17)12(14)10(18)4-6/h1-4H/q+1
InChIKeyZSBSUUJQKBBLLA-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-3,5-difluorophenyl)iodanium?
The IUPAC name of bis(4-chloro-3,5-difluorophenyl)iodanium (CID 87391878) is bis(4-chloro-3,5-difluorophenyl)iodanium.
What is the SMILES notation for bis(4-chloro-3,5-difluorophenyl)iodanium?
The canonical SMILES for bis(4-chloro-3,5-difluorophenyl)iodanium is Fc1cc([I+]c2cc(F)c(Cl)c(F)c2)cc(F)c1Cl.
What is the InChIKey of bis(4-chloro-3,5-difluorophenyl)iodanium?
The InChIKey is ZSBSUUJQKBBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F4I/c13-11-7(15)1-5(2-8(11)16)19-6-3-9(17)12(14)10(18)4-6/h1-4H/q+1.
What are the key properties of bis(4-chloro-3,5-difluorophenyl)iodanium?
bis(4-chloro-3,5-difluorophenyl)iodanium has a molecular weight of 421.97 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-3,5-difluorophenyl)iodanium is sourced from PubChem (CID 87391878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).