CID 90172514

C11H13F2OSi — CID 90172514

IUPAC—
SMILESCCC(CC)(O[Si])c1ccc(F)cc1F
InChIInChI=1S/C11H13F2OSi/c1-3-11(4-2,14-15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3
InChIKeyGWXUIONMBAAXMQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.08
Rot. Bonds4

About CID 90172514

CID 90172514 (PubChem CID 90172514) has the molecular formula C11H13F2OSi and a molecular weight of 227.31 g/mol.

Molecular Properties

Compound NameCID 90172514
PubChem CID90172514
Molecular FormulaC11H13F2OSi
Molecular Weight227.31 g/mol
Exact Mass227.07
IUPAC Name—
SMILESCCC(CC)(O[Si])c1ccc(F)cc1F
InChIInChI=1S/C11H13F2OSi/c1-3-11(4-2,14-15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3
InChIKeyGWXUIONMBAAXMQ-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 90172514?
The IUPAC name of CID 90172514 (CID 90172514) is not available.
What is the SMILES notation for CID 90172514?
The canonical SMILES for CID 90172514 is CCC(CC)(O[Si])c1ccc(F)cc1F.
What is the InChIKey of CID 90172514?
The InChIKey is GWXUIONMBAAXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2OSi/c1-3-11(4-2,14-15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3.
What are the key properties of CID 90172514?
CID 90172514 has a molecular weight of 227.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90172514 is sourced from PubChem (CID 90172514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).