3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid

C10H16F3NO3 — CID 129185128

IUPAC3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
SMILESCC1COCC(C)N1C(F)(F)C(C)(F)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-6-4-17-5-7(2)14(6)10(12,13)9(3,11)8(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyJYFDRHXCTWWDLI-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds3

About 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid

3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 129185128) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
PubChem CID129185128
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
SMILESCC1COCC(C)N1C(F)(F)C(C)(F)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-6-4-17-5-7(2)14(6)10(12,13)9(3,11)8(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyJYFDRHXCTWWDLI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-morpholin-4-ylpropanoic acid hydrochloride
CID 6603192
2-Methyl-3-morpholin-4-ylpropanoic acid
CID 652896
1-Piperazinepropionic acid, 4-(2-hyroxyethyl)-alpha,2-dimethyl-, 2,2,2-trifluroethyl ester
CID 24842279
2,2-Dimethyl-3-(morpholin-4-yl)propanoic acid hydrochloride
CID 126809365
2-(4-(2,2,2-Trifluoroethyl)morpholin-3-yl)acetic acid hydrochloride
CID 137964431
3-(Morpholin-4-yl)butanoic acid
CID 20447262
Methyl beta-N-(2,6-dimethylmorpholino)isobutyrate
CID 90955
2,2-Dimethyl-3-morpholinopropanoic acid
CID 21465515
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
1,1,1-Trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 59013017
3,3-Difluoropropyl 3-morpholin-4-ylpropanoate
CID 89623682
3,3,3-Trifluoropropyl 3-morpholin-4-ylpropanoate
CID 89623717

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid (CID 129185128) is 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid is CC1COCC(C)N1C(F)(F)C(C)(F)C(=O)O.
What is the InChIKey of 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is JYFDRHXCTWWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6-4-17-5-7(2)14(6)10(12,13)9(3,11)8(15)16/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid?
3-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic 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-(3,5-dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 129185128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).