2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine

C16H7Cl4F6NO2 — CID 21466246

IUPAC2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H7Cl4F6NO2/c17-10-4-8(28-2-1-12(19)20)5-11(18)13(10)29-14-9(16(24,25)26)3-7(6-27-14)15(21,22)23/h1,3-6H,2H2
InChIKeyUASZSYBWPQXQFC-UHFFFAOYSA-N
MW501.04 g/mol
LogP7.92
Rot. Bonds5

About 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine

2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine (PubChem CID 21466246) has the molecular formula C16H7Cl4F6NO2 and a molecular weight of 501.04 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
PubChem CID21466246
Molecular FormulaC16H7Cl4F6NO2
Molecular Weight501.04 g/mol
Exact Mass498.91
IUPAC Name2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H7Cl4F6NO2/c17-10-4-8(28-2-1-12(19)20)5-11(18)13(10)29-14-9(16(24,25)26)3-7(6-27-14)15(21,22)23/h1,3-6H,2H2
InChIKeyUASZSYBWPQXQFC-UHFFFAOYSA-N
XLogP7.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.04
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine (CID 21466246) is 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine?
The InChIKey is UASZSYBWPQXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl4F6NO2/c17-10-4-8(28-2-1-12(19)20)5-11(18)13(10)29-14-9(16(24,25)26)3-7(6-27-14)15(21,22)23/h1,3-6H,2H2.
What are the key properties of 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine?
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine has a molecular weight of 501.04 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 21466246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).