tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

C15H20F2N2O3 — CID 21345219

IUPACtert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COc1ccc(C(F)F)nc1
InChIInChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(20)19-7-6-10(19)9-21-11-4-5-12(13(16)17)18-8-11/h4-5,8,10,13H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyFDKHKAXGPIEHGH-JTQLQIEISA-N
MW314.33 g/mol
LogP3.41
Rot. Bonds4

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

tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (PubChem CID 21345219) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
PubChem CID21345219
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COc1ccc(C(F)F)nc1
InChIInChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(20)19-7-6-10(19)9-21-11-4-5-12(13(16)17)18-8-11/h4-5,8,10,13H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyFDKHKAXGPIEHGH-JTQLQIEISA-N
XLogP3.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate
CID 171592876
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
tert-butyl 2-(phenoxymethyl)azetidine-1-carboxylate
CID 57454928
2-chloro-5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 54220085
tert-butyl (2S)-2-[[6-(fluoromethyl)-5-methyl-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 54040757
tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10574471
tert-butyl (2S)-2-[(5-chloro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10780459
tert-butyl (2S)-2-[(5-ethynyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 56595566
tert-butyl 2-[[4-(trifluoromethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 23081208
tert-butyl 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 68999157
tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
CID 18391695
tert-butyl (2R)-2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001586

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (CID 21345219) is tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H]1COc1ccc(C(F)F)nc1.
What is the InChIKey of tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is FDKHKAXGPIEHGH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(20)19-7-6-10(19)9-21-11-4-5-12(13(16)17)18-8-11/h4-5,8,10,13H,6-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 314.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 21345219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).