CID 90174549

C11H14F2O3Si — CID 90174549

IUPAC—
SMILESCCOC(OCC)O[Si]c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O3Si/c1-3-14-11(15-4-2)16-17-8-5-6-9(12)10(13)7-8/h5-7,11H,3-4H2,1-2H3
InChIKeyJNHNPNWNBDQPQS-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.58
Rot. Bonds7

About CID 90174549

CID 90174549 (PubChem CID 90174549) has the molecular formula C11H14F2O3Si and a molecular weight of 260.31 g/mol.

Molecular Properties

Compound NameCID 90174549
PubChem CID90174549
Molecular FormulaC11H14F2O3Si
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name—
SMILESCCOC(OCC)O[Si]c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O3Si/c1-3-14-11(15-4-2)16-17-8-5-6-9(12)10(13)7-8/h5-7,11H,3-4H2,1-2H3
InChIKeyJNHNPNWNBDQPQS-UHFFFAOYSA-N
XLogP1.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90174549?
The IUPAC name of CID 90174549 (CID 90174549) is not available.
What is the SMILES notation for CID 90174549?
The canonical SMILES for CID 90174549 is CCOC(OCC)O[Si]c1ccc(F)c(F)c1.
What is the InChIKey of CID 90174549?
The InChIKey is JNHNPNWNBDQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3Si/c1-3-14-11(15-4-2)16-17-8-5-6-9(12)10(13)7-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of CID 90174549?
CID 90174549 has a molecular weight of 260.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174549 is sourced from PubChem (CID 90174549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).