tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate

C16H21FN2O3 — CID 21345189

IUPACtert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESC=Cc1cc(OC[C@H]2CCN2C(=O)OC(C)(C)C)cnc1F
InChIInChI=1S/C16H21FN2O3/c1-5-11-8-13(9-18-14(11)17)21-10-12-6-7-19(12)15(20)22-16(2,3)4/h5,8-9,12H,1,6-7,10H2,2-4H3/t12-/m1/s1
InChIKeyUCKQDVFZSMDQNP-GFCCVEGCSA-N
MW308.35 g/mol
LogP3.25
Rot. Bonds4

About tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate (PubChem CID 21345189) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
PubChem CID21345189
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nametert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESC=Cc1cc(OC[C@H]2CCN2C(=O)OC(C)(C)C)cnc1F
InChIInChI=1S/C16H21FN2O3/c1-5-11-8-13(9-18-14(11)17)21-10-12-6-7-19(12)15(20)22-16(2,3)4/h5,8-9,12H,1,6-7,10H2,2-4H3/t12-/m1/s1
InChIKeyUCKQDVFZSMDQNP-GFCCVEGCSA-N
XLogP3.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

Ispronicline
CID 9824145
TC-2559
CID 9823180
3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 9861755
Txg75jse9G
CID 10012482
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
3-[[(2S)-azetidin-2-yl]methoxy]-5-fluoropyridine
CID 10773767
Pyridine,3-(6-fluoro-1-hexyn-1-yl)-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-
CID 11358250
3-[[(2S)-azetidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 18391706
N-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]acetamide
CID 21971458
3-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44319012
F4YC7AD6MF
CID 44327305
3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 71584936

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate (CID 21345189) is tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate is C=Cc1cc(OC[C@H]2CCN2C(=O)OC(C)(C)C)cnc1F.
What is the InChIKey of tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The InChIKey is UCKQDVFZSMDQNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-5-11-8-13(9-18-14(11)17)21-10-12-6-7-19(12)15(20)22-16(2,3)4/h5,8-9,12H,1,6-7,10H2,2-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-ethenyl-6-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 21345189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).