(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid

C9H14F3NO4 — CID 175847785

IUPAC(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CN(C=O)C[C@H](C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-6-3-8(5-9)4-7(2)10-6;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)/t6-,7+;
InChIKeyODYIMZPRWPOQQU-UKMDXRBESA-N
MW257.21 g/mol
LogP0.89
Rot. Bonds1

About (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid

(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 175847785) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid
PubChem CID175847785
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CN(C=O)C[C@H](C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-6-3-8(5-9)4-7(2)10-6;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)/t6-,7+;
InChIKeyODYIMZPRWPOQQU-UKMDXRBESA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid (CID 175847785) is (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid is C[C@@H]1CN(C=O)C[C@H](C)O1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is ODYIMZPRWPOQQU-UKMDXRBESA-N. The full InChI is InChI=1S/C7H13NO2.C2HF3O2/c1-6-3-8(5-9)4-7(2)10-6;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)/t6-,7+;.
What are the key properties of (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 257.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175847785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).