CID 88874928

C16H23BFNO2Si — CID 88874928

IUPAC—
SMILES[B]c1ccc(N2CCC(CC(C)(C)[Si](C)(C)O)C2=O)c(F)c1
InChIInChI=1S/C16H23BFNO2Si/c1-16(2,22(3,4)21)10-11-7-8-19(15(11)20)14-6-5-12(17)9-13(14)18/h5-6,9,11,21H,7-8,10H2,1-4H3
InChIKeyIYTNCZUBLGJLPE-UHFFFAOYSA-N
MW319.26 g/mol
LogP2.34
Rot. Bonds4

About CID 88874928

CID 88874928 (PubChem CID 88874928) has the molecular formula C16H23BFNO2Si and a molecular weight of 319.26 g/mol.

Molecular Properties

Compound NameCID 88874928
PubChem CID88874928
Molecular FormulaC16H23BFNO2Si
Molecular Weight319.26 g/mol
Exact Mass319.16
IUPAC Name—
SMILES[B]c1ccc(N2CCC(CC(C)(C)[Si](C)(C)O)C2=O)c(F)c1
InChIInChI=1S/C16H23BFNO2Si/c1-16(2,22(3,4)21)10-11-7-8-19(15(11)20)14-6-5-12(17)9-13(14)18/h5-6,9,11,21H,7-8,10H2,1-4H3
InChIKeyIYTNCZUBLGJLPE-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 88874928?
The IUPAC name of CID 88874928 (CID 88874928) is not available.
What is the SMILES notation for CID 88874928?
The canonical SMILES for CID 88874928 is [B]c1ccc(N2CCC(CC(C)(C)[Si](C)(C)O)C2=O)c(F)c1.
What is the InChIKey of CID 88874928?
The InChIKey is IYTNCZUBLGJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BFNO2Si/c1-16(2,22(3,4)21)10-11-7-8-19(15(11)20)14-6-5-12(17)9-13(14)18/h5-6,9,11,21H,7-8,10H2,1-4H3.
What are the key properties of CID 88874928?
CID 88874928 has a molecular weight of 319.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88874928 is sourced from PubChem (CID 88874928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).