CID 22902624

C11H13ClFSi — CID 22902624

IUPAC—
SMILESFc1ccc(C2CC[Si](Cl)CC2)cc1
InChIInChI=1S/C11H13ClFSi/c12-14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-4,10H,5-8H2
InChIKeyKVULOGAFKPBYKW-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.93
Rot. Bonds1

About CID 22902624

CID 22902624 (PubChem CID 22902624) has the molecular formula C11H13ClFSi and a molecular weight of 227.76 g/mol.

Molecular Properties

Compound NameCID 22902624
PubChem CID22902624
Molecular FormulaC11H13ClFSi
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name—
SMILESFc1ccc(C2CC[Si](Cl)CC2)cc1
InChIInChI=1S/C11H13ClFSi/c12-14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-4,10H,5-8H2
InChIKeyKVULOGAFKPBYKW-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.93
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 22902624?
The IUPAC name of CID 22902624 (CID 22902624) is not available.
What is the SMILES notation for CID 22902624?
The canonical SMILES for CID 22902624 is Fc1ccc(C2CC[Si](Cl)CC2)cc1.
What is the InChIKey of CID 22902624?
The InChIKey is KVULOGAFKPBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFSi/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 22902624?
CID 22902624 has a molecular weight of 227.76 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22902624 is sourced from PubChem (CID 22902624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).