CID 168966122

C3H2Cl2F6NO4S2Si — CID 168966122

IUPAC—
SMILESO=S(=O)(N(C[Si](Cl)Cl)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2Cl2F6NO4S2Si/c4-19(5)1-12(17(13,14)2(6,7)8)18(15,16)3(9,10)11/h1H2
InChIKeyVTTKKDGUSDCPPU-UHFFFAOYSA-N
MW393.17 g/mol
LogP1.49
Rot. Bonds4

About CID 168966122

CID 168966122 (PubChem CID 168966122) has the molecular formula C3H2Cl2F6NO4S2Si and a molecular weight of 393.17 g/mol.

Molecular Properties

Compound NameCID 168966122
PubChem CID168966122
Molecular FormulaC3H2Cl2F6NO4S2Si
Molecular Weight393.17 g/mol
Exact Mass391.85
IUPAC Name—
SMILESO=S(=O)(N(C[Si](Cl)Cl)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2Cl2F6NO4S2Si/c4-19(5)1-12(17(13,14)2(6,7)8)18(15,16)3(9,10)11/h1H2
InChIKeyVTTKKDGUSDCPPU-UHFFFAOYSA-N
XLogP1.49
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 168966122?
The IUPAC name of CID 168966122 (CID 168966122) is not available.
What is the SMILES notation for CID 168966122?
The canonical SMILES for CID 168966122 is O=S(=O)(N(C[Si](Cl)Cl)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 168966122?
The InChIKey is VTTKKDGUSDCPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2F6NO4S2Si/c4-19(5)1-12(17(13,14)2(6,7)8)18(15,16)3(9,10)11/h1H2.
What are the key properties of CID 168966122?
CID 168966122 has a molecular weight of 393.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168966122 is sourced from PubChem (CID 168966122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).