1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one

C8H9F3N2O — CID 62879289

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one
SMILESNCC(n1ccc(=O)cc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(5-12)13-3-1-6(14)2-4-13/h1-4,7H,5,12H2
InChIKeyNXCURPWLYQHLMX-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.91
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one (PubChem CID 62879289) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one
PubChem CID62879289
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one
SMILESNCC(n1ccc(=O)cc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(5-12)13-3-1-6(14)2-4-13/h1-4,7H,5,12H2
InChIKeyNXCURPWLYQHLMX-UHFFFAOYSA-N
XLogP0.91
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one (CID 62879289) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one is NCC(n1ccc(=O)cc1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one?
The InChIKey is NXCURPWLYQHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7(5-12)13-3-1-6(14)2-4-13/h1-4,7H,5,12H2.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one has a molecular weight of 206.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyridin-4-one is sourced from PubChem (CID 62879289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).