CID 88874603

C16H23BFNO2Si — CID 88874603

IUPAC—
SMILES[B]c1ccc(N2CC[C@@H](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/t11-/m0/s1
InChIKeyIYTNCZUBLGJLPE-NSHDSACASA-N
MW319.26 g/mol
LogP2.34
Rot. Bonds4

About CID 88874603

CID 88874603 (PubChem CID 88874603) has the molecular formula C16H23BFNO2Si and a molecular weight of 319.26 g/mol.

Molecular Properties

Compound NameCID 88874603
PubChem CID88874603
Molecular FormulaC16H23BFNO2Si
Molecular Weight319.26 g/mol
Exact Mass319.16
IUPAC Name—
SMILES[B]c1ccc(N2CC[C@@H](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/t11-/m0/s1
InChIKeyIYTNCZUBLGJLPE-NSHDSACASA-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 88874603?
The IUPAC name of CID 88874603 (CID 88874603) is not available.
What is the SMILES notation for CID 88874603?
The canonical SMILES for CID 88874603 is [B]c1ccc(N2CC[C@@H](CC(C)(C)[Si](C)(C)O)C2=O)c(F)c1.
What is the InChIKey of CID 88874603?
The InChIKey is IYTNCZUBLGJLPE-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of CID 88874603?
CID 88874603 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 88874603 is sourced from PubChem (CID 88874603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).