CID 175219676

C17H20F3O3SSi — CID 175219676

IUPAC—
SMILESCC(C)(C)[Si](c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C16H19Si.CHF3O3S/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)8(5,6)7/h4-13H,1-3H3;(H,5,6,7)
InChIKeyCTJOVWRBSYUJDJ-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.49
Rot. Bonds2

About CID 175219676

CID 175219676 (PubChem CID 175219676) has the molecular formula C17H20F3O3SSi and a molecular weight of 389.49 g/mol.

Molecular Properties

Compound NameCID 175219676
PubChem CID175219676
Molecular FormulaC17H20F3O3SSi
Molecular Weight389.49 g/mol
Exact Mass389.09
IUPAC Name—
SMILESCC(C)(C)[Si](c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C16H19Si.CHF3O3S/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)8(5,6)7/h4-13H,1-3H3;(H,5,6,7)
InChIKeyCTJOVWRBSYUJDJ-UHFFFAOYSA-N
XLogP3.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.49
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 175219676?
The IUPAC name of CID 175219676 (CID 175219676) is not available.
What is the SMILES notation for CID 175219676?
The canonical SMILES for CID 175219676 is CC(C)(C)[Si](c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of CID 175219676?
The InChIKey is CTJOVWRBSYUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Si.CHF3O3S/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)8(5,6)7/h4-13H,1-3H3;(H,5,6,7).
What are the key properties of CID 175219676?
CID 175219676 has a molecular weight of 389.49 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175219676 is sourced from PubChem (CID 175219676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).