CID 23312652

C12H14F3O3Si — CID 23312652

IUPAC—
SMILESCCO[Si](OCC)c1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3O3Si/c1-3-17-19(18-4-2)10-8-6-5-7-9(10)11(16)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyVJJFOUVLVGIXCS-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.20
Rot. Bonds6

About CID 23312652

CID 23312652 (PubChem CID 23312652) has the molecular formula C12H14F3O3Si and a molecular weight of 291.32 g/mol.

Molecular Properties

Compound NameCID 23312652
PubChem CID23312652
Molecular FormulaC12H14F3O3Si
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name—
SMILESCCO[Si](OCC)c1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3O3Si/c1-3-17-19(18-4-2)10-8-6-5-7-9(10)11(16)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyVJJFOUVLVGIXCS-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 23312652?
The IUPAC name of CID 23312652 (CID 23312652) is not available.
What is the SMILES notation for CID 23312652?
The canonical SMILES for CID 23312652 is CCO[Si](OCC)c1ccccc1C(=O)C(F)(F)F.
What is the InChIKey of CID 23312652?
The InChIKey is VJJFOUVLVGIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3O3Si/c1-3-17-19(18-4-2)10-8-6-5-7-9(10)11(16)12(13,14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of CID 23312652?
CID 23312652 has a molecular weight of 291.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23312652 is sourced from PubChem (CID 23312652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).