CID 71242242

C12H17F2N2SSi2 — CID 71242242

IUPAC—
SMILESC[Si](C)Cc1c(F)c(F)c([Si](C)(C)C)c2nsnc12
InChIInChI=1S/C12H17F2N2SSi2/c1-18(2)6-7-8(13)9(14)12(19(3,4)5)11-10(7)15-17-16-11/h6H2,1-5H3
InChIKeyCRXLFBOYXMMKOD-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.35
Rot. Bonds3

About CID 71242242

CID 71242242 (PubChem CID 71242242) has the molecular formula C12H17F2N2SSi2 and a molecular weight of 315.52 g/mol.

Molecular Properties

Compound NameCID 71242242
PubChem CID71242242
Molecular FormulaC12H17F2N2SSi2
Molecular Weight315.52 g/mol
Exact Mass315.06
IUPAC Name—
SMILESC[Si](C)Cc1c(F)c(F)c([Si](C)(C)C)c2nsnc12
InChIInChI=1S/C12H17F2N2SSi2/c1-18(2)6-7-8(13)9(14)12(19(3,4)5)11-10(7)15-17-16-11/h6H2,1-5H3
InChIKeyCRXLFBOYXMMKOD-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 71242242?
The IUPAC name of CID 71242242 (CID 71242242) is not available.
What is the SMILES notation for CID 71242242?
The canonical SMILES for CID 71242242 is C[Si](C)Cc1c(F)c(F)c([Si](C)(C)C)c2nsnc12.
What is the InChIKey of CID 71242242?
The InChIKey is CRXLFBOYXMMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N2SSi2/c1-18(2)6-7-8(13)9(14)12(19(3,4)5)11-10(7)15-17-16-11/h6H2,1-5H3.
What are the key properties of CID 71242242?
CID 71242242 has a molecular weight of 315.52 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71242242 is sourced from PubChem (CID 71242242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).