5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one

C14H19BF3NO3 — CID 66706618

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
SMILESCC(n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O)C(F)(F)F
InChIInChI=1S/C14H19BF3NO3/c1-9(14(16,17)18)19-8-10(6-7-11(19)20)15-21-12(2,3)13(4,5)22-15/h6-9H,1-5H3
InChIKeySQLGLISTVFZJPF-UHFFFAOYSA-N
MW317.12 g/mol
LogP2.27
Rot. Bonds2

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one (PubChem CID 66706618) has the molecular formula C14H19BF3NO3 and a molecular weight of 317.12 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
PubChem CID66706618
Molecular FormulaC14H19BF3NO3
Molecular Weight317.12 g/mol
Exact Mass317.14
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
SMILESCC(n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O)C(F)(F)F
InChIInChI=1S/C14H19BF3NO3/c1-9(14(16,17)18)19-8-10(6-7-11(19)20)15-21-12(2,3)13(4,5)22-15/h6-9H,1-5H3
InChIKeySQLGLISTVFZJPF-UHFFFAOYSA-N
XLogP2.27
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one (CID 66706618) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one is CC(n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O)C(F)(F)F.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
The InChIKey is SQLGLISTVFZJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BF3NO3/c1-9(14(16,17)18)19-8-10(6-7-11(19)20)15-21-12(2,3)13(4,5)22-15/h6-9H,1-5H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one has a molecular weight of 317.12 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one is sourced from PubChem (CID 66706618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).