(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid

C11H19F3N2O4 — CID 16742172

IUPAC(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESCN1CCOC[C@@H]1[C@H]1COCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c1-11-3-5-13-7-9(11)8-6-12-4-2-10-8;3-2(4,5)1(6)7/h8-10H,2-7H2,1H3;(H,6,7)/t8-,9-;/m1./s1
InChIKeyDUXYYCUXAPTAQM-VTLYIQCISA-N
MW300.28 g/mol
LogP-0.06
Rot. Bonds1

About (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid

(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 16742172) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID16742172
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Name(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESCN1CCOC[C@@H]1[C@H]1COCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c1-11-3-5-13-7-9(11)8-6-12-4-2-10-8;3-2(4,5)1(6)7/h8-10H,2-7H2,1H3;(H,6,7)/t8-,9-;/m1./s1
InChIKeyDUXYYCUXAPTAQM-VTLYIQCISA-N
XLogP-0.06
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid (CID 16742172) is (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid is CN1CCOC[C@@H]1[C@H]1COCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is DUXYYCUXAPTAQM-VTLYIQCISA-N. The full InChI is InChI=1S/C9H18N2O2.C2HF3O2/c1-11-3-5-13-7-9(11)8-6-12-4-2-10-8;3-2(4,5)1(6)7/h8-10H,2-7H2,1H3;(H,6,7)/t8-,9-;/m1./s1.
What are the key properties of (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid?
(3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 300.28 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-[(3S)-morpholin-3-yl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 16742172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).