morpholin-4-ium;2,2,2-trifluoroacetate

C6H10F3NO3 — CID 71673346

IUPACmorpholin-4-ium;2,2,2-trifluoroacetate
SMILESC1COCC[NH2+]1.O=C([O-])C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3-6-4-2-5-1;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeySTBUWXYTSVWZIS-UHFFFAOYSA-N
MW201.14 g/mol
LogP-2.12
Rot. Bonds

About morpholin-4-ium;2,2,2-trifluoroacetate

morpholin-4-ium;2,2,2-trifluoroacetate (PubChem CID 71673346) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is morpholin-4-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namemorpholin-4-ium;2,2,2-trifluoroacetate
PubChem CID71673346
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemorpholin-4-ium;2,2,2-trifluoroacetate
SMILESC1COCC[NH2+]1.O=C([O-])C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3-6-4-2-5-1;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeySTBUWXYTSVWZIS-UHFFFAOYSA-N
XLogP-2.12
TPSA65.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylmorpholinium trifluoroacetate
CID 67341476
Morpholine trifluoroacetate
CID 129815299
Morpholin-4-ium;3,3,3-trifluoro-2,2-dimethylpropanoate
CID 155933085
Mor-pholinium acetate
CID 10942589
Morpholin-2-ylmethyl trifluoroacetate
CID 11206644
Morpholine, trifluoroacetate
CID 46242206
3-(Ethylamino)propyl 2,2,2-trifluoroacetate;yttrium
CID 60117621
Glycine, N-(2,2-difluoroethyl)-, ethyl ester
CID 60921893
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]acetic acid
CID 61490459
[(2R)-morpholin-2-yl]methyl 2,2,2-trifluoroacetate
CID 66662998
2-Methylmorpholin-4-ium;2,2,2-trifluoroacetate
CID 67341472
2-Methylmorpholine trifluoroacetate
CID 68841730

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ium;2,2,2-trifluoroacetate?
The IUPAC name of morpholin-4-ium;2,2,2-trifluoroacetate (CID 71673346) is morpholin-4-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for morpholin-4-ium;2,2,2-trifluoroacetate?
The canonical SMILES for morpholin-4-ium;2,2,2-trifluoroacetate is C1COCC[NH2+]1.O=C([O-])C(F)(F)F.
What is the InChIKey of morpholin-4-ium;2,2,2-trifluoroacetate?
The InChIKey is STBUWXYTSVWZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c1-3-6-4-2-5-1;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7).
What are the key properties of morpholin-4-ium;2,2,2-trifluoroacetate?
morpholin-4-ium;2,2,2-trifluoroacetate has a molecular weight of 201.14 g/mol, XLogP of -2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 71673346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).