fluoro 2-morpholin-4-ylpropanoate

C7H12FNO3 — CID 169191902

IUPACfluoro 2-morpholin-4-ylpropanoate
SMILESCC(C(=O)OF)N1CCOCC1
InChIInChI=1S/C7H12FNO3/c1-6(7(10)12-8)9-2-4-11-5-3-9/h6H,2-5H2,1H3
InChIKeyOPUSUFHVULAKEF-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.13
Rot. Bonds2

About fluoro 2-morpholin-4-ylpropanoate

fluoro 2-morpholin-4-ylpropanoate (PubChem CID 169191902) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is fluoro 2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namefluoro 2-morpholin-4-ylpropanoate
PubChem CID169191902
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Namefluoro 2-morpholin-4-ylpropanoate
SMILESCC(C(=O)OF)N1CCOCC1
InChIInChI=1S/C7H12FNO3/c1-6(7(10)12-8)9-2-4-11-5-3-9/h6H,2-5H2,1H3
InChIKeyOPUSUFHVULAKEF-UHFFFAOYSA-N
XLogP0.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze fluoro 2-morpholin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 2-morpholin-4-ylpropanoate?
The IUPAC name of fluoro 2-morpholin-4-ylpropanoate (CID 169191902) is fluoro 2-morpholin-4-ylpropanoate.
What is the SMILES notation for fluoro 2-morpholin-4-ylpropanoate?
The canonical SMILES for fluoro 2-morpholin-4-ylpropanoate is CC(C(=O)OF)N1CCOCC1.
What is the InChIKey of fluoro 2-morpholin-4-ylpropanoate?
The InChIKey is OPUSUFHVULAKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-6(7(10)12-8)9-2-4-11-5-3-9/h6H,2-5H2,1H3.
What are the key properties of fluoro 2-morpholin-4-ylpropanoate?
fluoro 2-morpholin-4-ylpropanoate has a molecular weight of 177.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-morpholin-4-ylpropanoate is sourced from PubChem (CID 169191902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).