5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one

C10H12F4N2O2 — CID 43260196

IUPAC5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H12F4N2O2/c11-9(12)10(13,14)6-18-4-3-16-5-7(15)1-2-8(16)17/h1-2,5,9H,3-4,6,15H2
InChIKeyLZNDEHPCVZDULC-UHFFFAOYSA-N
MW268.21 g/mol
LogP1.35
Rot. Bonds6

About 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one

5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one (PubChem CID 43260196) has the molecular formula C10H12F4N2O2 and a molecular weight of 268.21 g/mol. Its IUPAC name is 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
PubChem CID43260196
Molecular FormulaC10H12F4N2O2
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Name5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H12F4N2O2/c11-9(12)10(13,14)6-18-4-3-16-5-7(15)1-2-8(16)17/h1-2,5,9H,3-4,6,15H2
InChIKeyLZNDEHPCVZDULC-UHFFFAOYSA-N
XLogP1.35
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one (CID 43260196) is 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCOCC(F)(F)C(F)F)c1.
What is the InChIKey of 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
The InChIKey is LZNDEHPCVZDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2/c11-9(12)10(13,14)6-18-4-3-16-5-7(15)1-2-8(16)17/h1-2,5,9H,3-4,6,15H2.
What are the key properties of 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one has a molecular weight of 268.21 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 43260196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).