2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid

C5H12F3NO6S — CID 146318678

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid
SMILESNC(CO)(CO)CO.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H11NO3.CHF3O3S/c5-4(1-6,2-7)3-8;2-1(3,4)8(5,6)7/h6-8H,1-3,5H2;(H,5,6,7)
InChIKeyGQCMEPALZQNJKZ-UHFFFAOYSA-N
MW271.21 g/mol
LogP-1.95
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid

2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid (PubChem CID 146318678) has the molecular formula C5H12F3NO6S and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid
PubChem CID146318678
Molecular FormulaC5H12F3NO6S
Molecular Weight271.21 g/mol
Exact Mass271.03
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid
SMILESNC(CO)(CO)CO.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H11NO3.CHF3O3S/c5-4(1-6,2-7)3-8;2-1(3,4)8(5,6)7/h6-8H,1-3,5H2;(H,5,6,7)
InChIKeyGQCMEPALZQNJKZ-UHFFFAOYSA-N
XLogP-1.95
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
CID 87493832
CID 87493832
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
2-amino-2-(hydroxymethyl)propane-1,3-diol;propane-1-sulfonic acid
CID 20545768
sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid (CID 146318678) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid is NC(CO)(CO)CO.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid?
The InChIKey is GQCMEPALZQNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.CHF3O3S/c5-4(1-6,2-7)3-8;2-1(3,4)8(5,6)7/h6-8H,1-3,5H2;(H,5,6,7).
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid?
2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid has a molecular weight of 271.21 g/mol, XLogP of -1.95, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid is sourced from PubChem (CID 146318678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).