1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one

C10H11F3N2O — CID 79953270

IUPAC1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one
SMILESNc1cc(CC(=O)CCC(F)(F)F)ccn1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)3-1-8(16)5-7-2-4-15-9(14)6-7/h2,4,6H,1,3,5H2,(H2,14,15)
InChIKeyBDVJRZKWVPUEJJ-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one

1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one (PubChem CID 79953270) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one
PubChem CID79953270
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one
SMILESNc1cc(CC(=O)CCC(F)(F)F)ccn1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)3-1-8(16)5-7-2-4-15-9(14)6-7/h2,4,6H,1,3,5H2,(H2,14,15)
InChIKeyBDVJRZKWVPUEJJ-UHFFFAOYSA-N
XLogP2.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one (CID 79953270) is 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one is Nc1cc(CC(=O)CCC(F)(F)F)ccn1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one?
The InChIKey is BDVJRZKWVPUEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)3-1-8(16)5-7-2-4-15-9(14)6-7/h2,4,6H,1,3,5H2,(H2,14,15).
What are the key properties of 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one?
1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one has a molecular weight of 232.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 79953270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).