2,2-difluoro-3-morpholin-4-ylpropanoic acid

C7H11F2NO3 — CID 84665862

IUPAC2,2-difluoro-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(F)(F)CN1CCOCC1
InChIInChI=1S/C7H11F2NO3/c8-7(9,6(11)12)5-10-1-3-13-4-2-10/h1-5H2,(H,11,12)
InChIKeyIKMMOOGRZCWWBR-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.04
Rot. Bonds3

About 2,2-difluoro-3-morpholin-4-ylpropanoic acid

2,2-difluoro-3-morpholin-4-ylpropanoic acid (PubChem CID 84665862) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 2,2-difluoro-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-morpholin-4-ylpropanoic acid
PubChem CID84665862
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name2,2-difluoro-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(F)(F)CN1CCOCC1
InChIInChI=1S/C7H11F2NO3/c8-7(9,6(11)12)5-10-1-3-13-4-2-10/h1-5H2,(H,11,12)
InChIKeyIKMMOOGRZCWWBR-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 2,2-difluoro-3-morpholin-4-ylpropanoic acid (CID 84665862) is 2,2-difluoro-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2,2-difluoro-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2,2-difluoro-3-morpholin-4-ylpropanoic acid is O=C(O)C(F)(F)CN1CCOCC1.
What is the InChIKey of 2,2-difluoro-3-morpholin-4-ylpropanoic acid?
The InChIKey is IKMMOOGRZCWWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9,6(11)12)5-10-1-3-13-4-2-10/h1-5H2,(H,11,12).
What are the key properties of 2,2-difluoro-3-morpholin-4-ylpropanoic acid?
2,2-difluoro-3-morpholin-4-ylpropanoic acid has a molecular weight of 195.16 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 84665862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).