morpholine;bis(2,2,2-trifluoroacetic acid)

C12H20F6N2O6 — CID 171929196

IUPACmorpholine;bis(2,2,2-trifluoroacetic acid)
SMILESC1COCCN1.C1COCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C4H9NO.2C2HF3O2/c2*1-3-6-4-2-5-1;2*3-2(4,5)1(6)7/h2*5H,1-4H2;2*(H,6,7)
InChIKeyXLISXQCSSFNXGL-UHFFFAOYSA-N
MW402.29 g/mol
LogP0.48
Rot. Bonds

About morpholine;bis(2,2,2-trifluoroacetic acid)

morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171929196) has the molecular formula C12H20F6N2O6 and a molecular weight of 402.29 g/mol. Its IUPAC name is morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namemorpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171929196
Molecular FormulaC12H20F6N2O6
Molecular Weight402.29 g/mol
Exact Mass402.12
IUPAC Namemorpholine;bis(2,2,2-trifluoroacetic acid)
SMILESC1COCCN1.C1COCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C4H9NO.2C2HF3O2/c2*1-3-6-4-2-5-1;2*3-2(4,5)1(6)7/h2*5H,1-4H2;2*(H,6,7)
InChIKeyXLISXQCSSFNXGL-UHFFFAOYSA-N
XLogP0.48
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of morpholine;bis(2,2,2-trifluoroacetic acid) (CID 171929196) is morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for morpholine;bis(2,2,2-trifluoroacetic acid) is C1COCCN1.C1COCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XLISXQCSSFNXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.2C2HF3O2/c2*1-3-6-4-2-5-1;2*3-2(4,5)1(6)7/h2*5H,1-4H2;2*(H,6,7).
What are the key properties of morpholine;bis(2,2,2-trifluoroacetic acid)?
morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 402.29 g/mol, XLogP of 0.48, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171929196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).