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

C7HF12NO3 — CID 3295637

IUPAC2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7HF12NO3/c8-2(9,1(21)22)3(10,11)20-4(12,13)6(16,17)23-7(18,19)5(20,14)15/h(H,21,22)
InChIKeyZSVYXJMXQZLEJV-UHFFFAOYSA-N
MW375.07 g/mol
LogP3.00
Rot. Bonds3

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

2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid (PubChem CID 3295637) has the molecular formula C7HF12NO3 and a molecular weight of 375.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
PubChem CID3295637
Molecular FormulaC7HF12NO3
Molecular Weight375.07 g/mol
Exact Mass374.98
IUPAC Name2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7HF12NO3/c8-2(9,1(21)22)3(10,11)20-4(12,13)6(16,17)23-7(18,19)5(20,14)15/h(H,21,22)
InChIKeyZSVYXJMXQZLEJV-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.07
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid (CID 3295637) is 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid is O=C(O)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
The InChIKey is ZSVYXJMXQZLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF12NO3/c8-2(9,1(21)22)3(10,11)20-4(12,13)6(16,17)23-7(18,19)5(20,14)15/h(H,21,22).
What are the key properties of 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid?
2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid has a molecular weight of 375.07 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoic acid is sourced from PubChem (CID 3295637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).