tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane

C14H23F2NOSSi — CID 146029337

IUPACtert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N=[S@](=O)(c1ccccc1)C(C)(F)F
InChIInChI=1S/C14H23F2NOSSi/c1-13(2,3)20(5,6)17-19(18,14(4,15)16)12-10-8-7-9-11-12/h7-11H,1-6H3/t19-/m0/s1
InChIKeyLOLCTJKQCUKXJJ-IBGZPJMESA-N
MW319.49 g/mol
LogP5.13
Rot. Bonds3

About tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane

tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane (PubChem CID 146029337) has the molecular formula C14H23F2NOSSi and a molecular weight of 319.49 g/mol. Its IUPAC name is tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
PubChem CID146029337
Molecular FormulaC14H23F2NOSSi
Molecular Weight319.49 g/mol
Exact Mass319.12
IUPAC Nametert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N=[S@](=O)(c1ccccc1)C(C)(F)F
InChIInChI=1S/C14H23F2NOSSi/c1-13(2,3)20(5,6)17-19(18,14(4,15)16)12-10-8-7-9-11-12/h7-11H,1-6H3/t19-/m0/s1
InChIKeyLOLCTJKQCUKXJJ-IBGZPJMESA-N
XLogP5.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone
CID 102346704
2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
CID 102442189
trimethyl-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]silane
CID 25041125
tert-butyl-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-dimethylsilane
CID 162396856
1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea
CID 102442198
ethane;trifluoromethylsulfonylbenzene
CID 144556552
[(chloro-oxo-phenyl-λ6-sulfanylidene)amino]-trimethylsilane
CID 129405304
(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 126835818
[diphenyl(trimethylsilylmethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 14943478
(NZ)-N-[[tert-butyl(dimethyl)silyl]-phenylmethylidene]benzenesulfonamide
CID 164665268
N-[[dichloro(fluoro)methyl]-oxo-phenyl-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 56590770
(triphenyl-λ4-sulfanyl) trifluoromethanesulfonate
CID 141079280

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
The IUPAC name of tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane (CID 146029337) is tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane is CC(C)(C)[Si](C)(C)N=[S@](=O)(c1ccccc1)C(C)(F)F.
What is the InChIKey of tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
The InChIKey is LOLCTJKQCUKXJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C14H23F2NOSSi/c1-13(2,3)20(5,6)17-19(18,14(4,15)16)12-10-8-7-9-11-12/h7-11H,1-6H3/t19-/m0/s1.
What are the key properties of tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane?
tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane has a molecular weight of 319.49 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane is sourced from PubChem (CID 146029337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).