CID 136785733

C3H6F3O2SSi — CID 136785733

IUPAC—
SMILESC[Si](C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3O2SSi/c1-10(2)9(7,8)3(4,5)6/h1-2H3
InChIKeyPSGXYBKCNUPBFI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.17
Rot. Bonds1

About CID 136785733

CID 136785733 (PubChem CID 136785733) has the molecular formula C3H6F3O2SSi and a molecular weight of 191.23 g/mol.

Molecular Properties

Compound NameCID 136785733
PubChem CID136785733
Molecular FormulaC3H6F3O2SSi
Molecular Weight191.23 g/mol
Exact Mass190.98
IUPAC Name—
SMILESC[Si](C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3O2SSi/c1-10(2)9(7,8)3(4,5)6/h1-2H3
InChIKeyPSGXYBKCNUPBFI-UHFFFAOYSA-N
XLogP1.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 136785733?
The IUPAC name of CID 136785733 (CID 136785733) is not available.
What is the SMILES notation for CID 136785733?
The canonical SMILES for CID 136785733 is C[Si](C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of CID 136785733?
The InChIKey is PSGXYBKCNUPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O2SSi/c1-10(2)9(7,8)3(4,5)6/h1-2H3.
What are the key properties of CID 136785733?
CID 136785733 has a molecular weight of 191.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136785733 is sourced from PubChem (CID 136785733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).