morpholine-2-carboxamide;2,2,2-trifluoroacetic acid

C7H11F3N2O4 — CID 162320358

IUPACmorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O2.C2HF3O2/c6-5(8)4-3-7-1-2-9-4;3-2(4,5)1(6)7/h4,7H,1-3H2,(H2,6,8);(H,6,7)
InChIKeyKSDTZCDPYUWVGH-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.91
Rot. Bonds1

About morpholine-2-carboxamide;2,2,2-trifluoroacetic acid

morpholine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162320358) has the molecular formula C7H11F3N2O4 and a molecular weight of 244.17 g/mol. Its IUPAC name is morpholine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162320358
Molecular FormulaC7H11F3N2O4
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Namemorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O2.C2HF3O2/c6-5(8)4-3-7-1-2-9-4;3-2(4,5)1(6)7/h4,7H,1-3H2,(H2,6,8);(H,6,7)
InChIKeyKSDTZCDPYUWVGH-UHFFFAOYSA-N
XLogP-0.91
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162320358) is morpholine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholine-2-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1CNCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KSDTZCDPYUWVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.C2HF3O2/c6-5(8)4-3-7-1-2-9-4;3-2(4,5)1(6)7/h4,7H,1-3H2,(H2,6,8);(H,6,7).
What are the key properties of morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
morpholine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 244.17 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162320358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).