2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine

C18H12F3NO4S — CID 18996458

IUPAC2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine
SMILESO=S(=O)(c1ccc(Oc2cccc(Oc3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C18H12F3NO4S/c19-18(20,21)27(23,24)15-11-9-14(10-12-15)26-17-8-4-7-16(22-17)25-13-5-2-1-3-6-13/h1-12H
InChIKeyUPERWVQYGWXGJE-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.96
Rot. Bonds5

About 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine

2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine (PubChem CID 18996458) has the molecular formula C18H12F3NO4S and a molecular weight of 395.36 g/mol. Its IUPAC name is 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine
PubChem CID18996458
Molecular FormulaC18H12F3NO4S
Molecular Weight395.36 g/mol
Exact Mass395.04
IUPAC Name2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine
SMILESO=S(=O)(c1ccc(Oc2cccc(Oc3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C18H12F3NO4S/c19-18(20,21)27(23,24)15-11-9-14(10-12-15)26-17-8-4-7-16(22-17)25-13-5-2-1-3-6-13/h1-12H
InChIKeyUPERWVQYGWXGJE-UHFFFAOYSA-N
XLogP4.96
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine?
The IUPAC name of 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine (CID 18996458) is 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine.
What is the SMILES notation for 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine?
The canonical SMILES for 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine is O=S(=O)(c1ccc(Oc2cccc(Oc3ccccc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine?
The InChIKey is UPERWVQYGWXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4S/c19-18(20,21)27(23,24)15-11-9-14(10-12-15)26-17-8-4-7-16(22-17)25-13-5-2-1-3-6-13/h1-12H.
What are the key properties of 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine?
2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine has a molecular weight of 395.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-[4-(trifluoromethylsulfonyl)phenoxy]pyridine is sourced from PubChem (CID 18996458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).