(2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium

C19H10ClF3IO3S+ — CID 87666794

IUPAC(2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium
SMILESO=S(=O)(O[I+]c1c(Cl)ccc2c1-c1ccccc1-2)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H10ClF3IO3S/c20-15-10-9-13-11-5-1-2-6-12(11)17(13)18(15)24-27-28(25,26)16-8-4-3-7-14(16)19(21,22)23/h1-10H/q+1
InChIKeyJOGBNHBABVWNEB-UHFFFAOYSA-N
MW537.70 g/mol
LogP2.59
Rot. Bonds4

About (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium

(2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium (PubChem CID 87666794) has the molecular formula C19H10ClF3IO3S+ and a molecular weight of 537.70 g/mol. Its IUPAC name is (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium.

Molecular Properties

Compound Name(2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium
PubChem CID87666794
Molecular FormulaC19H10ClF3IO3S+
Molecular Weight537.70 g/mol
Exact Mass536.90
IUPAC Name(2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium
SMILESO=S(=O)(O[I+]c1c(Cl)ccc2c1-c1ccccc1-2)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H10ClF3IO3S/c20-15-10-9-13-11-5-1-2-6-12(11)17(13)18(15)24-27-28(25,26)16-8-4-3-7-14(16)19(21,22)23/h1-10H/q+1
InChIKeyJOGBNHBABVWNEB-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.70
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium?
The IUPAC name of (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium (CID 87666794) is (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium.
What is the SMILES notation for (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium?
The canonical SMILES for (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium is O=S(=O)(O[I+]c1c(Cl)ccc2c1-c1ccccc1-2)c1ccccc1C(F)(F)F.
What is the InChIKey of (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium?
The InChIKey is JOGBNHBABVWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3IO3S/c20-15-10-9-13-11-5-1-2-6-12(11)17(13)18(15)24-27-28(25,26)16-8-4-3-7-14(16)19(21,22)23/h1-10H/q+1.
What are the key properties of (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium?
(2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium has a molecular weight of 537.70 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorobiphenylen-1-yl)-[2-(trifluoromethyl)phenyl]sulfonyloxyiodanium is sourced from PubChem (CID 87666794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).