CID 22404112

C11H13BrFSi — CID 22404112

IUPAC—
SMILESFc1ccc(C2CC[Si](Br)CC2)cc1
InChIInChI=1S/C11H13BrFSi/c12-14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-4,10H,5-8H2
InChIKeyIAPKKRBFTMBQNG-UHFFFAOYSA-N
MW272.21 g/mol
LogP4.09
Rot. Bonds1

About CID 22404112

CID 22404112 (PubChem CID 22404112) has the molecular formula C11H13BrFSi and a molecular weight of 272.21 g/mol.

Molecular Properties

Compound NameCID 22404112
PubChem CID22404112
Molecular FormulaC11H13BrFSi
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name—
SMILESFc1ccc(C2CC[Si](Br)CC2)cc1
InChIInChI=1S/C11H13BrFSi/c12-14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-4,10H,5-8H2
InChIKeyIAPKKRBFTMBQNG-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22404112?
The IUPAC name of CID 22404112 (CID 22404112) is not available.
What is the SMILES notation for CID 22404112?
The canonical SMILES for CID 22404112 is Fc1ccc(C2CC[Si](Br)CC2)cc1.
What is the InChIKey of CID 22404112?
The InChIKey is IAPKKRBFTMBQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFSi/c12-14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-4,10H,5-8H2.
What are the key properties of CID 22404112?
CID 22404112 has a molecular weight of 272.21 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22404112 is sourced from PubChem (CID 22404112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).