3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one

C14H10Cl2F3NO2 — CID 2085827

IUPAC3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2F3NO2/c15-10-1-3-11(4-2-10)22-6-5-20-8-9(14(17,18)19)7-12(16)13(20)21/h1-4,7-8H,5-6H2
InChIKeyTZRMZYAJSFIJDB-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.25
Rot. Bonds4

About 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 2085827) has the molecular formula C14H10Cl2F3NO2 and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID2085827
Molecular FormulaC14H10Cl2F3NO2
Molecular Weight352.14 g/mol
Exact Mass351.00
IUPAC Name3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2F3NO2/c15-10-1-3-11(4-2-10)22-6-5-20-8-9(14(17,18)19)7-12(16)13(20)21/h1-4,7-8H,5-6H2
InChIKeyTZRMZYAJSFIJDB-UHFFFAOYSA-N
XLogP4.25
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 2085827) is 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1c(Cl)cc(C(F)(F)F)cn1CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is TZRMZYAJSFIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2/c15-10-1-3-11(4-2-10)22-6-5-20-8-9(14(17,18)19)7-12(16)13(20)21/h1-4,7-8H,5-6H2.
What are the key properties of 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 352.14 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2085827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).