CID 21461936

C9H12F9Si3 — CID 21461936

IUPAC—
SMILESFC(F)(F)CC[Si][Si][Si](CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C9H12F9Si3/c10-7(11,12)1-4-19-20-21(5-2-8(13,14)15)6-3-9(16,17)18/h1-6H2
InChIKeyKISAFTQVXUUQKO-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.58
Rot. Bonds8

About CID 21461936

CID 21461936 (PubChem CID 21461936) has the molecular formula C9H12F9Si3 and a molecular weight of 375.44 g/mol.

Molecular Properties

Compound NameCID 21461936
PubChem CID21461936
Molecular FormulaC9H12F9Si3
Molecular Weight375.44 g/mol
Exact Mass375.01
IUPAC Name—
SMILESFC(F)(F)CC[Si][Si][Si](CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C9H12F9Si3/c10-7(11,12)1-4-19-20-21(5-2-8(13,14)15)6-3-9(16,17)18/h1-6H2
InChIKeyKISAFTQVXUUQKO-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)
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CID 18617925
CID 18617925

Frequently Asked Questions

What is the IUPAC name of CID 21461936?
The IUPAC name of CID 21461936 (CID 21461936) is not available.
What is the SMILES notation for CID 21461936?
The canonical SMILES for CID 21461936 is FC(F)(F)CC[Si][Si][Si](CCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of CID 21461936?
The InChIKey is KISAFTQVXUUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F9Si3/c10-7(11,12)1-4-19-20-21(5-2-8(13,14)15)6-3-9(16,17)18/h1-6H2.
What are the key properties of CID 21461936?
CID 21461936 has a molecular weight of 375.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21461936 is sourced from PubChem (CID 21461936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).