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

C11H12F6N2O2 — CID 102721710

IUPAC5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCOC(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H12F6N2O2/c12-10(13,14)9(11(15,16)17)21-5-1-4-19-6-7(18)2-3-8(19)20/h2-3,6,9H,1,4-5,18H2
InChIKeyANHCFIPFGYAZST-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.33
Rot. Bonds5

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

5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one (PubChem CID 102721710) has the molecular formula C11H12F6N2O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one
PubChem CID102721710
Molecular FormulaC11H12F6N2O2
Molecular Weight318.22 g/mol
Exact Mass318.08
IUPAC Name5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCOC(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H12F6N2O2/c12-10(13,14)9(11(15,16)17)21-5-1-4-19-6-7(18)2-3-8(19)20/h2-3,6,9H,1,4-5,18H2
InChIKeyANHCFIPFGYAZST-UHFFFAOYSA-N
XLogP2.33
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.33
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one (CID 102721710) is 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one is Nc1ccc(=O)n(CCCOC(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one?
The InChIKey is ANHCFIPFGYAZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O2/c12-10(13,14)9(11(15,16)17)21-5-1-4-19-6-7(18)2-3-8(19)20/h2-3,6,9H,1,4-5,18H2.
What are the key properties of 5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one?
5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one has a molecular weight of 318.22 g/mol, XLogP of 2.33, 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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one is sourced from PubChem (CID 102721710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).