tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate

C14H19FN2O3 — CID 11108798

IUPACtert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1COc1ccc(F)nc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-7-6-10(17)9-19-11-4-5-12(15)16-8-11/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyQULNGGSZUGCITL-SNVBAGLBSA-N
MW282.31 g/mol
LogP2.61
Rot. Bonds3

About tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate (PubChem CID 11108798) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
PubChem CID11108798
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1COc1ccc(F)nc1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-7-6-10(17)9-19-11-4-5-12(15)16-8-11/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyQULNGGSZUGCITL-SNVBAGLBSA-N
XLogP2.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate (CID 11108798) is tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1COc1ccc(F)nc1.
What is the InChIKey of tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The InChIKey is QULNGGSZUGCITL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-7-6-10(17)9-19-11-4-5-12(15)16-8-11/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 11108798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).