morpholine;trifluoromethanesulfonic acid

C5H10F3NO4S — CID 12065828

IUPACmorpholine;trifluoromethanesulfonic acid
SMILESC1COCCN1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H9NO.CHF3O3S/c1-3-6-4-2-5-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H,5,6,7)
InChIKeyOVXDLDSWRLLUJT-UHFFFAOYSA-N
MW237.20 g/mol
LogP0.00
Rot. Bonds

About morpholine;trifluoromethanesulfonic acid

morpholine;trifluoromethanesulfonic acid (PubChem CID 12065828) has the molecular formula C5H10F3NO4S and a molecular weight of 237.20 g/mol. Its IUPAC name is morpholine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namemorpholine;trifluoromethanesulfonic acid
PubChem CID12065828
Molecular FormulaC5H10F3NO4S
Molecular Weight237.20 g/mol
Exact Mass237.03
IUPAC Namemorpholine;trifluoromethanesulfonic acid
SMILESC1COCCN1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H9NO.CHF3O3S/c1-3-6-4-2-5-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H,5,6,7)
InChIKeyOVXDLDSWRLLUJT-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 morpholine;trifluoromethanesulfonic acid?
The IUPAC name of morpholine;trifluoromethanesulfonic acid (CID 12065828) is morpholine;trifluoromethanesulfonic acid.
What is the SMILES notation for morpholine;trifluoromethanesulfonic acid?
The canonical SMILES for morpholine;trifluoromethanesulfonic acid is C1COCCN1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of morpholine;trifluoromethanesulfonic acid?
The InChIKey is OVXDLDSWRLLUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CHF3O3S/c1-3-6-4-2-5-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H,5,6,7).
What are the key properties of morpholine;trifluoromethanesulfonic acid?
morpholine;trifluoromethanesulfonic acid has a molecular weight of 237.20 g/mol, XLogP of 0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;trifluoromethanesulfonic acid is sourced from PubChem (CID 12065828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).