tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

C11H18FNO4 — CID 118798667

IUPACtert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCOC(=O)CC1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H18FNO4/c1-10(2,3)17-9(15)13-6-11(12,7-13)5-8(14)16-4/h5-7H2,1-4H3
InChIKeyXZBWUBOMJUHKDN-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate (PubChem CID 118798667) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
PubChem CID118798667
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Nametert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCOC(=O)CC1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H18FNO4/c1-10(2,3)17-9(15)13-6-11(12,7-13)5-8(14)16-4/h5-7H2,1-4H3
InChIKeyXZBWUBOMJUHKDN-UHFFFAOYSA-N
XLogP1.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methoxy-2-oxoethyl)sulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141106
tert-butyl 3-methyl-3-(2-oxopropyl)azetidine-1-carboxylate
CID 126745334
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
1-O-tert-butyl 3-O-methyl 3-bromoazetidine-1,3-dicarboxylate
CID 170711327
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
2-hydroxy-2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 167723995
tert-butyl 3-(hydroxymethyl)-3-(methylamino)azetidine-1-carboxylate
CID 130606000
tert-butyl 3-[(4-aminophenyl)methyl]-3-fluoroazetidine-1-carboxylate
CID 118903420
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate (CID 118798667) is tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate is COC(=O)CC1(F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
The InChIKey is XZBWUBOMJUHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-10(2,3)17-9(15)13-6-11(12,7-13)5-8(14)16-4/h5-7H2,1-4H3.
What are the key properties of tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate is sourced from PubChem (CID 118798667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).