tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate

C10H18FNO3 — CID 144913401

IUPACtert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate
SMILESC[C@@H]1COC[C@@H](F)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-7-5-14-6-8(11)12(7)9(13)15-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyCZLYEYOVRYKTNO-SFYZADRCSA-N
MW219.26 g/mol
LogP1.94
Rot. Bonds

About tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate

tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate (PubChem CID 144913401) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate
PubChem CID144913401
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate
SMILESC[C@@H]1COC[C@@H](F)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-7-5-14-6-8(11)12(7)9(13)15-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyCZLYEYOVRYKTNO-SFYZADRCSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate 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 tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate (CID 144913401) is tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate is C[C@@H]1COC[C@@H](F)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate?
The InChIKey is CZLYEYOVRYKTNO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7-5-14-6-8(11)12(7)9(13)15-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate?
tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate has a molecular weight of 219.26 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3-fluoro-5-methylmorpholine-4-carboxylate is sourced from PubChem (CID 144913401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).