1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one

C10H11ClF3NO2 — CID 55244686

IUPAC1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCOCCCl
InChIInChI=1S/C10H11ClF3NO2/c11-3-5-17-6-4-15-7-8(10(12,13)14)1-2-9(15)16/h1-2,7H,3-6H2
InChIKeyFNOFNCNKLATBDM-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55244686) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID55244686
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCOCCCl
InChIInChI=1S/C10H11ClF3NO2/c11-3-5-17-6-4-15-7-8(10(12,13)14)1-2-9(15)16/h1-2,7H,3-6H2
InChIKeyFNOFNCNKLATBDM-UHFFFAOYSA-N
XLogP2.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 55244686) is 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCOCCCl.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FNOFNCNKLATBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c11-3-5-17-6-4-15-7-8(10(12,13)14)1-2-9(15)16/h1-2,7H,3-6H2.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 269.65 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55244686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).