2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid

C8H9F6NO3 — CID 51063041

IUPAC2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(C(F)(F)F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H9F6NO3/c9-6(5(16)17,7(10,11)12)8(13,14)15-1-3-18-4-2-15/h1-4H2,(H,16,17)
InChIKeyVXGBAKIKXADVIZ-UHFFFAOYSA-N
MW281.15 g/mol
LogP1.27
Rot. Bonds3

About 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid

2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid (PubChem CID 51063041) has the molecular formula C8H9F6NO3 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
PubChem CID51063041
Molecular FormulaC8H9F6NO3
Molecular Weight281.15 g/mol
Exact Mass281.05
IUPAC Name2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(C(F)(F)F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H9F6NO3/c9-6(5(16)17,7(10,11)12)8(13,14)15-1-3-18-4-2-15/h1-4H2,(H,16,17)
InChIKeyVXGBAKIKXADVIZ-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.27
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

3-(Morpholin-4-yl)propanoic acid
CID 410813
2-Methyl-3-morpholin-4-ylpropanoic acid
CID 652896
a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
3-(2,2,3,3,5,5,6,6-Octafluoromorpholin-4-yl)propanoic acid
CID 19000299
2-[Difluoro-[fluoro-[2-(2-fluoroethoxy)ethyl]amino]methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 57583608
2,2,3,3-Tetrafluoropropyl 3-morpholin-4-ylpropanoate
CID 58855425
2-Morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate
CID 58855491
1,1,1,2,3,3,3-Heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 58855506
2,2,3,3,4,4,4-Heptafluorobutyl 3-morpholin-4-ylpropanoate
CID 59012970
2,2,3,3,4,4,5,5,5-Nonafluoropentyl 3-morpholin-4-ylpropanoate
CID 59013001
2,2,3,3,3-Pentafluoropropyl 3-morpholin-4-ylpropanoate
CID 59855624
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 59855625

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid?
The IUPAC name of 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid (CID 51063041) is 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid is O=C(O)C(F)(C(F)(F)F)C(F)(F)N1CCOCC1.
What is the InChIKey of 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid?
The InChIKey is VXGBAKIKXADVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO3/c9-6(5(16)17,7(10,11)12)8(13,14)15-1-3-18-4-2-15/h1-4H2,(H,16,17).
What are the key properties of 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid?
2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid has a molecular weight of 281.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 51063041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).