N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C8H15F6NO6S2Si — CID 175909763

IUPACN-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCO[SiH](OCCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F6NO6S2Si/c1-3-5-20-24(21-6-4-2)15(22(16,17)7(9,10)11)23(18,19)8(12,13)14/h24H,3-6H2,1-2H3
InChIKeyKSVGYHLDOFSYDL-UHFFFAOYSA-N
MW427.42 g/mol
LogP1.56
Rot. Bonds9

About N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 175909763) has the molecular formula C8H15F6NO6S2Si and a molecular weight of 427.42 g/mol. Its IUPAC name is N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID175909763
Molecular FormulaC8H15F6NO6S2Si
Molecular Weight427.42 g/mol
Exact Mass427.00
IUPAC NameN-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCO[SiH](OCCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F6NO6S2Si/c1-3-5-20-24(21-6-4-2)15(22(16,17)7(9,10)11)23(18,19)8(12,13)14/h24H,3-6H2,1-2H3
InChIKeyKSVGYHLDOFSYDL-UHFFFAOYSA-N
XLogP1.56
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 175909763) is N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCO[SiH](OCCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is KSVGYHLDOFSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F6NO6S2Si/c1-3-5-20-24(21-6-4-2)15(22(16,17)7(9,10)11)23(18,19)8(12,13)14/h24H,3-6H2,1-2H3.
What are the key properties of N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 427.42 g/mol, XLogP of 1.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipropoxysilyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 175909763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).