5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one

C10H13F3N2O2 — CID 43259844

IUPAC5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCOCC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-5-1-4-15-6-8(14)2-3-9(15)16/h2-3,6H,1,4-5,7,14H2
InChIKeyJEGFILMLFSQKPX-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.40
Rot. Bonds5

About 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one

5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one (PubChem CID 43259844) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
PubChem CID43259844
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCOCC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-5-1-4-15-6-8(14)2-3-9(15)16/h2-3,6H,1,4-5,7,14H2
InChIKeyJEGFILMLFSQKPX-UHFFFAOYSA-N
XLogP1.40
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one (CID 43259844) is 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one is Nc1ccc(=O)n(CCCOCC(F)(F)F)c1.
What is the InChIKey of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The InChIKey is JEGFILMLFSQKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-5-1-4-15-6-8(14)2-3-9(15)16/h2-3,6H,1,4-5,7,14H2.
What are the key properties of 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one has a molecular weight of 250.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one is sourced from PubChem (CID 43259844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).