3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid

C10H16F3NO3 — CID 55146697

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
SMILESCC1CN(C(CC(=O)O)C(F)(F)F)CC(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)
InChIKeyGEDGLAHTFNMTNE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid

3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 55146697) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
PubChem CID55146697
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
SMILESCC1CN(C(CC(=O)O)C(F)(F)F)CC(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)
InChIKeyGEDGLAHTFNMTNE-UHFFFAOYSA-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

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Related Compounds

2-(4-(2,2,2-Trifluoroethyl)morpholin-3-yl)acetic acid hydrochloride
CID 137964431
2-(4-((Tert-butoxy)carbonyl)-6-(trifluoromethyl)morpholin-3-yl)acetic acid
CID 155970364
3-(Morpholin-4-yl)butanoic acid
CID 20447262
1,1,1-Trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 59013017
1-Morpholin-4-ylpropan-2-yl 2,2,4,4,4-pentafluorobutanoate
CID 89623947
3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962277
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55124058
3-(4-Ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55145766
4,4,4-Trifluoro-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 55147090
3-[Cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
CID 55147674
3-(5-Ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 55148249

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid (CID 55146697) is 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid is CC1CN(C(CC(=O)O)C(F)(F)F)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is GEDGLAHTFNMTNE-UHFFFAOYSA-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).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
3-(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-(2,6-dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55146697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).