CID 90172668

C13H17F2OSi — CID 90172668

IUPAC—
SMILESCCC(CC)(CCc1ccc(F)c(F)c1)O[Si]
InChIInChI=1S/C13H17F2OSi/c1-3-13(4-2,16-17)8-7-10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQQODQICJNUUPNP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.56
Rot. Bonds6

About CID 90172668

CID 90172668 (PubChem CID 90172668) has the molecular formula C13H17F2OSi and a molecular weight of 255.36 g/mol.

Molecular Properties

Compound NameCID 90172668
PubChem CID90172668
Molecular FormulaC13H17F2OSi
Molecular Weight255.36 g/mol
Exact Mass255.10
IUPAC Name—
SMILESCCC(CC)(CCc1ccc(F)c(F)c1)O[Si]
InChIInChI=1S/C13H17F2OSi/c1-3-13(4-2,16-17)8-7-10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQQODQICJNUUPNP-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 90172668?
The IUPAC name of CID 90172668 (CID 90172668) is not available.
What is the SMILES notation for CID 90172668?
The canonical SMILES for CID 90172668 is CCC(CC)(CCc1ccc(F)c(F)c1)O[Si].
What is the InChIKey of CID 90172668?
The InChIKey is QQODQICJNUUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2OSi/c1-3-13(4-2,16-17)8-7-10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of CID 90172668?
CID 90172668 has a molecular weight of 255.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90172668 is sourced from PubChem (CID 90172668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).