CID 175559572

C8H18F3O3SSi — CID 175559572

IUPAC—
SMILESCC[Si](CC)C(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C7H17Si.CHF3O3S/c1-5-8(6-2)7(3)4;2-1(3,4)8(5,6)7/h7H,5-6H2,1-4H3;(H,5,6,7)
InChIKeyGCFOEZNMKUWOGC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.33
Rot. Bonds3

About CID 175559572

CID 175559572 (PubChem CID 175559572) has the molecular formula C8H18F3O3SSi and a molecular weight of 279.38 g/mol.

Molecular Properties

Compound NameCID 175559572
PubChem CID175559572
Molecular FormulaC8H18F3O3SSi
Molecular Weight279.38 g/mol
Exact Mass279.07
IUPAC Name—
SMILESCC[Si](CC)C(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C7H17Si.CHF3O3S/c1-5-8(6-2)7(3)4;2-1(3,4)8(5,6)7/h7H,5-6H2,1-4H3;(H,5,6,7)
InChIKeyGCFOEZNMKUWOGC-UHFFFAOYSA-N
XLogP3.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.33
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175559572?
The IUPAC name of CID 175559572 (CID 175559572) is not available.
What is the SMILES notation for CID 175559572?
The canonical SMILES for CID 175559572 is CC[Si](CC)C(C)C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of CID 175559572?
The InChIKey is GCFOEZNMKUWOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17Si.CHF3O3S/c1-5-8(6-2)7(3)4;2-1(3,4)8(5,6)7/h7H,5-6H2,1-4H3;(H,5,6,7).
What are the key properties of CID 175559572?
CID 175559572 has a molecular weight of 279.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175559572 is sourced from PubChem (CID 175559572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).