CID 86627681

C7H16F3O3SSi — CID 86627681

IUPAC—
SMILESC[Si](C)C(C)(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H15Si.CHF3O3S/c1-6(2,3)7(4)5;2-1(3,4)8(5,6)7/h1-5H3;(H,5,6,7)
InChIKeyANJDVAUBEAXAFE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.93
Rot. Bonds

About CID 86627681

CID 86627681 (PubChem CID 86627681) has the molecular formula C7H16F3O3SSi and a molecular weight of 265.35 g/mol.

Molecular Properties

Compound NameCID 86627681
PubChem CID86627681
Molecular FormulaC7H16F3O3SSi
Molecular Weight265.35 g/mol
Exact Mass265.05
IUPAC Name—
SMILESC[Si](C)C(C)(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H15Si.CHF3O3S/c1-6(2,3)7(4)5;2-1(3,4)8(5,6)7/h1-5H3;(H,5,6,7)
InChIKeyANJDVAUBEAXAFE-UHFFFAOYSA-N
XLogP2.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 86627681?
The IUPAC name of CID 86627681 (CID 86627681) is not available.
What is the SMILES notation for CID 86627681?
The canonical SMILES for CID 86627681 is C[Si](C)C(C)(C)C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of CID 86627681?
The InChIKey is ANJDVAUBEAXAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Si.CHF3O3S/c1-6(2,3)7(4)5;2-1(3,4)8(5,6)7/h1-5H3;(H,5,6,7).
What are the key properties of CID 86627681?
CID 86627681 has a molecular weight of 265.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86627681 is sourced from PubChem (CID 86627681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).