morpholine;2,2,2-trifluoroacetic acid

C6H10F3NO3 — CID 46242206

IUPACmorpholine;2,2,2-trifluoroacetic acid
SMILESC1COCCN1.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
LogP0.24
Rot. Bonds

About morpholine;2,2,2-trifluoroacetic acid

morpholine;2,2,2-trifluoroacetic acid (PubChem CID 46242206) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholine;2,2,2-trifluoroacetic acid
PubChem CID46242206
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemorpholine;2,2,2-trifluoroacetic acid
SMILESC1COCCN1.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
XLogP0.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, acetate (1:1)
CID 11964105
N-methylmorpholinium trifluoroacetate
CID 67341476
Morpholin-4-ium 2,2,2-trifluoroacetate
CID 71673346
Morpholine trifluoroacetate
CID 129815299
4-Methylmorpholine;2,2,2-trifluoroacetic acid
CID 21271055
2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 23087526
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]acetic acid
CID 61490459
2-[2-(Trifluoromethoxy)ethylamino]acetic acid
CID 65805668
2-Methylmorpholin-4-ium;2,2,2-trifluoroacetate
CID 67341472
2-Morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 68772352
2-Methylmorpholine trifluoroacetate
CID 68841730
2-Piperazin-1-ylethyl 2,2,2-trifluoroacetate
CID 84437057

Frequently Asked Questions

What is the IUPAC name of morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholine;2,2,2-trifluoroacetic acid (CID 46242206) is morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholine;2,2,2-trifluoroacetic acid is C1COCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of morpholine;2,2,2-trifluoroacetic acid?
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 morpholine;2,2,2-trifluoroacetic acid?
morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46242206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).