CID 171839539

C10H10BrFSi — CID 171839539

IUPAC—
SMILESC[Si]C1CCc2cc(Br)cc(F)c21
InChIInChI=1S/C10H10BrFSi/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5,9H,2-3H2,1H3
InChIKeyBJQWZCPLMGBCKP-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.33
Rot. Bonds1

About CID 171839539

CID 171839539 (PubChem CID 171839539) has the molecular formula C10H10BrFSi and a molecular weight of 257.18 g/mol.

Molecular Properties

Compound NameCID 171839539
PubChem CID171839539
Molecular FormulaC10H10BrFSi
Molecular Weight257.18 g/mol
Exact Mass255.97
IUPAC Name—
SMILESC[Si]C1CCc2cc(Br)cc(F)c21
InChIInChI=1S/C10H10BrFSi/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5,9H,2-3H2,1H3
InChIKeyBJQWZCPLMGBCKP-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 171839539?
The IUPAC name of CID 171839539 (CID 171839539) is not available.
What is the SMILES notation for CID 171839539?
The canonical SMILES for CID 171839539 is C[Si]C1CCc2cc(Br)cc(F)c21.
What is the InChIKey of CID 171839539?
The InChIKey is BJQWZCPLMGBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFSi/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5,9H,2-3H2,1H3.
What are the key properties of CID 171839539?
CID 171839539 has a molecular weight of 257.18 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171839539 is sourced from PubChem (CID 171839539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).