CID 66889591

C8H13F3OSi — CID 66889591

IUPAC—
SMILESC[Si]OC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H13F3OSi/c1-13-12-7(8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3
InChIKeyWCCFJHXNOIUZTF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.94
Rot. Bonds2

About CID 66889591

CID 66889591 (PubChem CID 66889591) has the molecular formula C8H13F3OSi and a molecular weight of 210.27 g/mol.

Molecular Properties

Compound NameCID 66889591
PubChem CID66889591
Molecular FormulaC8H13F3OSi
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name—
SMILESC[Si]OC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H13F3OSi/c1-13-12-7(8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3
InChIKeyWCCFJHXNOIUZTF-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.94
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 66889591?
The IUPAC name of CID 66889591 (CID 66889591) is not available.
What is the SMILES notation for CID 66889591?
The canonical SMILES for CID 66889591 is C[Si]OC1(C(F)(F)F)CCCCC1.
What is the InChIKey of CID 66889591?
The InChIKey is WCCFJHXNOIUZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OSi/c1-13-12-7(8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of CID 66889591?
CID 66889591 has a molecular weight of 210.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66889591 is sourced from PubChem (CID 66889591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).