CID 148840635

C16H22BFNSi — CID 148840635

IUPAC—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccc(F)cc2)=CC=C1
InChIInChI=1S/C16H22BFNSi/c1-16(2,3)20(4,5)19-12-6-7-15(17-19)13-8-10-14(18)11-9-13/h6-12H,1-5H3
InChIKeyCOWLJTSICRRQJG-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.62
Rot. Bonds2

About CID 148840635

CID 148840635 (PubChem CID 148840635) has the molecular formula C16H22BFNSi and a molecular weight of 286.26 g/mol.

Molecular Properties

Compound NameCID 148840635
PubChem CID148840635
Molecular FormulaC16H22BFNSi
Molecular Weight286.26 g/mol
Exact Mass286.16
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccc(F)cc2)=CC=C1
InChIInChI=1S/C16H22BFNSi/c1-16(2,3)20(4,5)19-12-6-7-15(17-19)13-8-10-14(18)11-9-13/h6-12H,1-5H3
InChIKeyCOWLJTSICRRQJG-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 148840635?
The IUPAC name of CID 148840635 (CID 148840635) is not available.
What is the SMILES notation for CID 148840635?
The canonical SMILES for CID 148840635 is CC(C)(C)[Si](C)(C)N1[B]C(c2ccc(F)cc2)=CC=C1.
What is the InChIKey of CID 148840635?
The InChIKey is COWLJTSICRRQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BFNSi/c1-16(2,3)20(4,5)19-12-6-7-15(17-19)13-8-10-14(18)11-9-13/h6-12H,1-5H3.
What are the key properties of CID 148840635?
CID 148840635 has a molecular weight of 286.26 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148840635 is sourced from PubChem (CID 148840635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).