tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane

C13H21F2NOSSi — CID 78080453

IUPACtert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N=S(=O)(c1ccccc1)C(F)F
InChIInChI=1S/C13H21F2NOSSi/c1-13(2,3)19(4,5)16-18(17,12(14)15)11-9-7-6-8-10-11/h6-10,12H,1-5H3
InChIKeyQDLDAFMPIGQQKQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane

tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane (PubChem CID 78080453) has the molecular formula C13H21F2NOSSi and a molecular weight of 305.47 g/mol. Its IUPAC name is tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
PubChem CID78080453
Molecular FormulaC13H21F2NOSSi
Molecular Weight305.47 g/mol
Exact Mass305.11
IUPAC Nametert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N=S(=O)(c1ccccc1)C(F)F
InChIInChI=1S/C13H21F2NOSSi/c1-13(2,3)19(4,5)16-18(17,12(14)15)11-9-7-6-8-10-11/h6-10,12H,1-5H3
InChIKeyQDLDAFMPIGQQKQ-UHFFFAOYSA-N
XLogP4.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
The IUPAC name of tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane (CID 78080453) is tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
The canonical SMILES for tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane is CC(C)(C)[Si](C)(C)N=S(=O)(c1ccccc1)C(F)F.
What is the InChIKey of tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
The InChIKey is QDLDAFMPIGQQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NOSSi/c1-13(2,3)19(4,5)16-18(17,12(14)15)11-9-7-6-8-10-11/h6-10,12H,1-5H3.
What are the key properties of tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane has a molecular weight of 305.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(difluoromethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane is sourced from PubChem (CID 78080453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).