dimethylgallanyl trifluoromethanesulfonate

C3H6F3GaO3S — CID 139745593

IUPACdimethylgallanyl trifluoromethanesulfonate
SMILESC[Ga](C)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/CHF3O3S.2CH3.Ga/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);2*1H3;/q;;;+1/p-1
InChIKeyQCTOPOTYYVJGGI-UHFFFAOYSA-M
MW248.86 g/mol
LogP1.10
Rot. Bonds2

About dimethylgallanyl trifluoromethanesulfonate

dimethylgallanyl trifluoromethanesulfonate (PubChem CID 139745593) has the molecular formula C3H6F3GaO3S and a molecular weight of 248.86 g/mol. Its IUPAC name is dimethylgallanyl trifluoromethanesulfonate.

Molecular Properties

Compound Namedimethylgallanyl trifluoromethanesulfonate
PubChem CID139745593
Molecular FormulaC3H6F3GaO3S
Molecular Weight248.86 g/mol
Exact Mass247.92
IUPAC Namedimethylgallanyl trifluoromethanesulfonate
SMILESC[Ga](C)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/CHF3O3S.2CH3.Ga/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);2*1H3;/q;;;+1/p-1
InChIKeyQCTOPOTYYVJGGI-UHFFFAOYSA-M
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.86
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;methyl trifluoromethanesulfonate
CID 174775711
methyl trifluoromethanesulfonate;silver
CID 174859792
methoxy trifluoromethanesulfonate
CID 87224753
2-methylpropyl trifluoromethanesulfonate
CID 639197
propan-2-yl trifluoromethanesulfonate
CID 10877967
(Trifluoromethanesulfonyloxy)dimethylsilane
CID 11828587
(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 23649989
tert-butyl trifluoromethanesulfonate;copper
CID 175096484
but-2-en-2-yl trifluoromethanesulfonate
CID 58952347
CID 15111591
CID 15111591
tributyl(trifluoromethylsulfonyloxy)phosphanium
CID 87465902
[diethyl(2-methylprop-1-enyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 87981338

Frequently Asked Questions

What is the IUPAC name of dimethylgallanyl trifluoromethanesulfonate?
The IUPAC name of dimethylgallanyl trifluoromethanesulfonate (CID 139745593) is dimethylgallanyl trifluoromethanesulfonate.
What is the SMILES notation for dimethylgallanyl trifluoromethanesulfonate?
The canonical SMILES for dimethylgallanyl trifluoromethanesulfonate is C[Ga](C)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of dimethylgallanyl trifluoromethanesulfonate?
The InChIKey is QCTOPOTYYVJGGI-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O3S.2CH3.Ga/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);2*1H3;/q;;;+1/p-1.
What are the key properties of dimethylgallanyl trifluoromethanesulfonate?
dimethylgallanyl trifluoromethanesulfonate has a molecular weight of 248.86 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylgallanyl trifluoromethanesulfonate is sourced from PubChem (CID 139745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).