N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate

C4H17F3NO3SSi+3 — CID 171924337

IUPACN,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
SMILESCN(C)C.O=S(=O)([O-])C(F)(F)F.[SiH8+4]
InChIInChI=1S/C3H9N.CHF3O3S.H8Si/c1-4(2)3;2-1(3,4)8(5,6)7;/h1-3H3;(H,5,6,7);1H8/q;;+4/p-1
InChIKeyQJMASTJUXGIRBM-UHFFFAOYSA-M
MW244.33 g/mol
LogP-2.29
Rot. Bonds

About N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate

N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate (PubChem CID 171924337) has the molecular formula C4H17F3NO3SSi+3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
PubChem CID171924337
Molecular FormulaC4H17F3NO3SSi+3
Molecular Weight244.33 g/mol
Exact Mass244.06
IUPAC NameN,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
SMILESCN(C)C.O=S(=O)([O-])C(F)(F)F.[SiH8+4]
InChIInChI=1S/C3H9N.CHF3O3S.H8Si/c1-4(2)3;2-1(3,4)8(5,6)7;/h1-3H3;(H,5,6,7);1H8/q;;+4/p-1
InChIKeyQJMASTJUXGIRBM-UHFFFAOYSA-M
XLogP-2.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate?
The IUPAC name of N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate (CID 171924337) is N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate.
What is the SMILES notation for N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate?
The canonical SMILES for N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate is CN(C)C.O=S(=O)([O-])C(F)(F)F.[SiH8+4].
What is the InChIKey of N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate?
The InChIKey is QJMASTJUXGIRBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9N.CHF3O3S.H8Si/c1-4(2)3;2-1(3,4)8(5,6)7;/h1-3H3;(H,5,6,7);1H8/q;;+4/p-1.
What are the key properties of N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate?
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate has a molecular weight of 244.33 g/mol, XLogP of -2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate is sourced from PubChem (CID 171924337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).