2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine

C11H11ClF3NO2 — CID 118627181

IUPAC2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine
SMILESFC(F)(F)COC1CC(Oc2ccnc(Cl)c2)C1
InChIInChI=1S/C11H11ClF3NO2/c12-10-5-7(1-2-16-10)18-9-3-8(4-9)17-6-11(13,14)15/h1-2,5,8-9H,3-4,6H2
InChIKeyBVQJMTQGCFHOIJ-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.22
Rot. Bonds4

About 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine

2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine (PubChem CID 118627181) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine
PubChem CID118627181
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine
SMILESFC(F)(F)COC1CC(Oc2ccnc(Cl)c2)C1
InChIInChI=1S/C11H11ClF3NO2/c12-10-5-7(1-2-16-10)18-9-3-8(4-9)17-6-11(13,14)15/h1-2,5,8-9H,3-4,6H2
InChIKeyBVQJMTQGCFHOIJ-UHFFFAOYSA-N
XLogP3.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine?
The IUPAC name of 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine (CID 118627181) is 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine?
The canonical SMILES for 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine is FC(F)(F)COC1CC(Oc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine?
The InChIKey is BVQJMTQGCFHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-10-5-7(1-2-16-10)18-9-3-8(4-9)17-6-11(13,14)15/h1-2,5,8-9H,3-4,6H2.
What are the key properties of 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine?
2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine has a molecular weight of 281.66 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxypyridine is sourced from PubChem (CID 118627181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).