2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine

C16H9ClF3NO2 — CID 168525596

IUPAC2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(Oc2ccc(-c3ccco3)cc2Cl)n1
InChIInChI=1S/C16H9ClF3NO2/c17-11-9-10(12-3-2-8-22-12)6-7-13(11)23-15-5-1-4-14(21-15)16(18,19)20/h1-9H
InChIKeyAEBVXXCBVRZKSY-UHFFFAOYSA-N
MW339.70 g/mol
LogP5.81
Rot. Bonds3

About 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine

2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine (PubChem CID 168525596) has the molecular formula C16H9ClF3NO2 and a molecular weight of 339.70 g/mol. Its IUPAC name is 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine
PubChem CID168525596
Molecular FormulaC16H9ClF3NO2
Molecular Weight339.70 g/mol
Exact Mass339.03
IUPAC Name2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(Oc2ccc(-c3ccco3)cc2Cl)n1
InChIInChI=1S/C16H9ClF3NO2/c17-11-9-10(12-3-2-8-22-12)6-7-13(11)23-15-5-1-4-14(21-15)16(18,19)20/h1-9H
InChIKeyAEBVXXCBVRZKSY-UHFFFAOYSA-N
XLogP5.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.70
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine (CID 168525596) is 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(Oc2ccc(-c3ccco3)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine?
The InChIKey is AEBVXXCBVRZKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO2/c17-11-9-10(12-3-2-8-22-12)6-7-13(11)23-15-5-1-4-14(21-15)16(18,19)20/h1-9H.
What are the key properties of 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine?
2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine has a molecular weight of 339.70 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 168525596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).