trifluoromethanolate;tris(dimethylamino)sulfanium

C7H18F3N3OS — CID 22448444

IUPACtrifluoromethanolate;tris(dimethylamino)sulfanium
SMILESCN(C)[S+](N(C)C)N(C)C.[O-]C(F)(F)F
InChIInChI=1S/C6H18N3S.CF3O/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)5/h1-6H3;/q+1;-1
InChIKeyQSTILQJNONMZOZ-UHFFFAOYSA-N
MW249.30 g/mol
LogP-0.10
Rot. Bonds3

About trifluoromethanolate;tris(dimethylamino)sulfanium

trifluoromethanolate;tris(dimethylamino)sulfanium (PubChem CID 22448444) has the molecular formula C7H18F3N3OS and a molecular weight of 249.30 g/mol. Its IUPAC name is trifluoromethanolate;tris(dimethylamino)sulfanium.

Molecular Properties

Compound Nametrifluoromethanolate;tris(dimethylamino)sulfanium
PubChem CID22448444
Molecular FormulaC7H18F3N3OS
Molecular Weight249.30 g/mol
Exact Mass249.11
IUPAC Nametrifluoromethanolate;tris(dimethylamino)sulfanium
SMILESCN(C)[S+](N(C)C)N(C)C.[O-]C(F)(F)F
InChIInChI=1S/C6H18N3S.CF3O/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)5/h1-6H3;/q+1;-1
InChIKeyQSTILQJNONMZOZ-UHFFFAOYSA-N
XLogP-0.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium trifluoromethanolate
CID 20660966
sodium trifluoromethanolate
CID 23669108
difluoromethoxy(trioxido)silane;tris(tris(dimethylamino)sulfanium)
CID 159762304
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
lithium;boric acid;trifluoromethanolate
CID 159254971
potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate
CID 23704112
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
CID 158302613
N-methyl-N-(trifluoromethylselanyl)methanamine
CID 13172553
dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride
CID 23315816
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996

Frequently Asked Questions

What is the IUPAC name of trifluoromethanolate;tris(dimethylamino)sulfanium?
The IUPAC name of trifluoromethanolate;tris(dimethylamino)sulfanium (CID 22448444) is trifluoromethanolate;tris(dimethylamino)sulfanium.
What is the SMILES notation for trifluoromethanolate;tris(dimethylamino)sulfanium?
The canonical SMILES for trifluoromethanolate;tris(dimethylamino)sulfanium is CN(C)[S+](N(C)C)N(C)C.[O-]C(F)(F)F.
What is the InChIKey of trifluoromethanolate;tris(dimethylamino)sulfanium?
The InChIKey is QSTILQJNONMZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3S.CF3O/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)5/h1-6H3;/q+1;-1.
What are the key properties of trifluoromethanolate;tris(dimethylamino)sulfanium?
trifluoromethanolate;tris(dimethylamino)sulfanium has a molecular weight of 249.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanolate;tris(dimethylamino)sulfanium is sourced from PubChem (CID 22448444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).