[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate

C2H2F6NO7PS2 — CID 175318059

IUPAC[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate
SMILESNP(=O)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H2F6NO7PS2/c3-1(4,5)18(11,12)15-17(9,10)16-19(13,14)2(6,7)8/h(H2,9,10)
InChIKeyBNCXVPVVYAUREI-UHFFFAOYSA-N
MW361.13 g/mol
LogP0.79
Rot. Bonds4

About [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate

[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate (PubChem CID 175318059) has the molecular formula C2H2F6NO7PS2 and a molecular weight of 361.13 g/mol. Its IUPAC name is [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate
PubChem CID175318059
Molecular FormulaC2H2F6NO7PS2
Molecular Weight361.13 g/mol
Exact Mass360.89
IUPAC Name[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate
SMILESNP(=O)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H2F6NO7PS2/c3-1(4,5)18(11,12)15-17(9,10)16-19(13,14)2(6,7)8/h(H2,9,10)
InChIKeyBNCXVPVVYAUREI-UHFFFAOYSA-N
XLogP0.79
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.13
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[bis(trifluoromethylsulfonyloxy)phosphoryloxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] trifluoromethanesulfonate
CID 87250966
[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 175254181
2-(trifluoromethylsulfonyloxy)propan-2-ylphosphonic acid
CID 19427720
methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid
CID 54262047
phosphonooxymethyl trifluoromethanesulfonate
CID 141077875
[amino(benzenesulfonyloxy)phosphoryl] benzenesulfonate
CID 175594882
copper;methyl trifluoromethanesulfonate
CID 174775711
methyl trifluoromethanesulfonate;silver
CID 174859792
1,2,2-trichloroethyl trifluoromethanesulfonate
CID 12599142
bis(trifluoromethylsulfonyloxy)bismuthanyl trifluoromethanesulfonate;tetrahydrate
CID 135085502
methoxy trifluoromethanesulfonate
CID 87224753
1-fluoroethenyl trifluoromethanesulfonate
CID 87156219

Frequently Asked Questions

What is the IUPAC name of [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate?
The IUPAC name of [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate (CID 175318059) is [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate.
What is the SMILES notation for [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate?
The canonical SMILES for [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate is NP(=O)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate?
The InChIKey is BNCXVPVVYAUREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F6NO7PS2/c3-1(4,5)18(11,12)15-17(9,10)16-19(13,14)2(6,7)8/h(H2,9,10).
What are the key properties of [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate?
[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate has a molecular weight of 361.13 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate is sourced from PubChem (CID 175318059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).