3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid

C7H5F8NO3 — CID 19000299

IUPAC3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
SMILESO=C(O)CCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7H5F8NO3/c8-4(9)6(12,13)19-7(14,15)5(10,11)16(4)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKeyRMTHSEQGBUTYPB-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.16
Rot. Bonds3

About 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid

3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid (PubChem CID 19000299) has the molecular formula C7H5F8NO3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
PubChem CID19000299
Molecular FormulaC7H5F8NO3
Molecular Weight303.11 g/mol
Exact Mass303.01
IUPAC Name3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
SMILESO=C(O)CCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7H5F8NO3/c8-4(9)6(12,13)19-7(14,15)5(10,11)16(4)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKeyRMTHSEQGBUTYPB-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-Tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
CID 3295637
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
2,2,3,3-Tetrafluoropropyl 3-morpholin-4-ylpropanoate
CID 58855425
2,2,3,3,3-Pentafluoropropyl 3-morpholin-4-ylpropanoate
CID 59855624
Potassium 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 88411771
2,2,3,3,3-Pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine
CID 123970002
3-Morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
CID 157135837
3,3,3-Trifluoro-2-(morpholin-4-ylmethyl)propanoic acid
CID 80997507
2-Fluoro-3-morpholin-4-ylpropanoic acid
CID 84655867
2,2-Difluoro-3-(morpholin-4-yl)propanoic acid
CID 84665862
(2S)-2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 124430906
(2R)-2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 124430907

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
The IUPAC name of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid (CID 19000299) is 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
The canonical SMILES for 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid is O=C(O)CCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
The InChIKey is RMTHSEQGBUTYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F8NO3/c8-4(9)6(12,13)19-7(14,15)5(10,11)16(4)2-1-3(17)18/h1-2H2,(H,17,18).
What are the key properties of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid has a molecular weight of 303.11 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid is sourced from PubChem (CID 19000299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).