CID 175600730

C9H19F2N2O3SSi — CID 175600730

IUPAC—
SMILESCCO[Si](C)C.Cc1ccc[nH]1.O=S(=O)(F)NF
InChIInChI=1S/C5H7N.C4H11OSi.F2HNO2S/c1-5-3-2-4-6-5;1-4-5-6(2)3;1-3-6(2,4)5/h2-4,6H,1H3;4H2,1-3H3;3H
InChIKeyHWPVEDRFNSZGDX-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.27
Rot. Bonds3

About CID 175600730

CID 175600730 (PubChem CID 175600730) has the molecular formula C9H19F2N2O3SSi and a molecular weight of 301.41 g/mol.

Molecular Properties

Compound NameCID 175600730
PubChem CID175600730
Molecular FormulaC9H19F2N2O3SSi
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name—
SMILESCCO[Si](C)C.Cc1ccc[nH]1.O=S(=O)(F)NF
InChIInChI=1S/C5H7N.C4H11OSi.F2HNO2S/c1-5-3-2-4-6-5;1-4-5-6(2)3;1-3-6(2,4)5/h2-4,6H,1H3;4H2,1-3H3;3H
InChIKeyHWPVEDRFNSZGDX-UHFFFAOYSA-N
XLogP2.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175600730?
The IUPAC name of CID 175600730 (CID 175600730) is not available.
What is the SMILES notation for CID 175600730?
The canonical SMILES for CID 175600730 is CCO[Si](C)C.Cc1ccc[nH]1.O=S(=O)(F)NF.
What is the InChIKey of CID 175600730?
The InChIKey is HWPVEDRFNSZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H11OSi.F2HNO2S/c1-5-3-2-4-6-5;1-4-5-6(2)3;1-3-6(2,4)5/h2-4,6H,1H3;4H2,1-3H3;3H.
What are the key properties of CID 175600730?
CID 175600730 has a molecular weight of 301.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175600730 is sourced from PubChem (CID 175600730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).