CID 163371369

C15H14BF2NO3 — CID 163371369

IUPAC—
SMILES[B]c1ccc2c(c1F)[C@]1(C[C@@H]1F)CN(CC(=O)OCC)C2=O
InChIInChI=1S/C15H14BF2NO3/c1-2-22-11(20)6-19-7-15(5-10(15)17)12-8(14(19)21)3-4-9(16)13(12)18/h3-4,10H,2,5-7H2,1H3/t10-,15+/m0/s1
InChIKeyQDAXFZBKRGCVNH-ZUZCIYMTSA-N
MW305.09 g/mol
LogP0.62
Rot. Bonds3

About CID 163371369

CID 163371369 (PubChem CID 163371369) has the molecular formula C15H14BF2NO3 and a molecular weight of 305.09 g/mol.

Molecular Properties

Compound NameCID 163371369
PubChem CID163371369
Molecular FormulaC15H14BF2NO3
Molecular Weight305.09 g/mol
Exact Mass305.10
IUPAC Name—
SMILES[B]c1ccc2c(c1F)[C@]1(C[C@@H]1F)CN(CC(=O)OCC)C2=O
InChIInChI=1S/C15H14BF2NO3/c1-2-22-11(20)6-19-7-15(5-10(15)17)12-8(14(19)21)3-4-9(16)13(12)18/h3-4,10H,2,5-7H2,1H3/t10-,15+/m0/s1
InChIKeyQDAXFZBKRGCVNH-ZUZCIYMTSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163371369?
The IUPAC name of CID 163371369 (CID 163371369) is not available.
What is the SMILES notation for CID 163371369?
The canonical SMILES for CID 163371369 is [B]c1ccc2c(c1F)[C@]1(C[C@@H]1F)CN(CC(=O)OCC)C2=O.
What is the InChIKey of CID 163371369?
The InChIKey is QDAXFZBKRGCVNH-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H14BF2NO3/c1-2-22-11(20)6-19-7-15(5-10(15)17)12-8(14(19)21)3-4-9(16)13(12)18/h3-4,10H,2,5-7H2,1H3/t10-,15+/m0/s1.
What are the key properties of CID 163371369?
CID 163371369 has a molecular weight of 305.09 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163371369 is sourced from PubChem (CID 163371369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).