3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid

C10H16F3NO3 — CID 104961258

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid
SMILESC[C@@H]1CN(C(CC(=O)O)C(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C10H16F3NO3/c1-6-4-14(5-7(2)17-6)8(3-9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)/t6-,7+,8?
InChIKeyGEDGLAHTFNMTNE-DHBOJHSNSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds3

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid (PubChem CID 104961258) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid
PubChem CID104961258
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid
SMILESC[C@@H]1CN(C(CC(=O)O)C(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C10H16F3NO3/c1-6-4-14(5-7(2)17-6)8(3-9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)/t6-,7+,8?
InChIKeyGEDGLAHTFNMTNE-DHBOJHSNSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid (CID 104961258) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid is C[C@@H]1CN(C(CC(=O)O)C(F)(F)F)C[C@H](C)O1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid?
The InChIKey is GEDGLAHTFNMTNE-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6-4-14(5-7(2)17-6)8(3-9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)/t6-,7+,8?.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 104961258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).