CID 168800120

C3H7Cl4NSi2 — CID 168800120

IUPAC—
SMILESCCCN([Si](Cl)Cl)[Si](Cl)Cl
InChIInChI=1S/C3H7Cl4NSi2/c1-2-3-8(9(4)5)10(6)7/h2-3H2,1H3
InChIKeyRLJZJHZDJNMPAD-UHFFFAOYSA-N
MW255.08 g/mol
LogP2.62
Rot. Bonds4

About CID 168800120

CID 168800120 (PubChem CID 168800120) has the molecular formula C3H7Cl4NSi2 and a molecular weight of 255.08 g/mol.

Molecular Properties

Compound NameCID 168800120
PubChem CID168800120
Molecular FormulaC3H7Cl4NSi2
Molecular Weight255.08 g/mol
Exact Mass252.89
IUPAC Name—
SMILESCCCN([Si](Cl)Cl)[Si](Cl)Cl
InChIInChI=1S/C3H7Cl4NSi2/c1-2-3-8(9(4)5)10(6)7/h2-3H2,1H3
InChIKeyRLJZJHZDJNMPAD-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 168800120?
The IUPAC name of CID 168800120 (CID 168800120) is not available.
What is the SMILES notation for CID 168800120?
The canonical SMILES for CID 168800120 is CCCN([Si](Cl)Cl)[Si](Cl)Cl.
What is the InChIKey of CID 168800120?
The InChIKey is RLJZJHZDJNMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl4NSi2/c1-2-3-8(9(4)5)10(6)7/h2-3H2,1H3.
What are the key properties of CID 168800120?
CID 168800120 has a molecular weight of 255.08 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168800120 is sourced from PubChem (CID 168800120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).