tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate

C11H20FNO3 — CID 122239983

IUPACtert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CC(F)CO)C1
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-8(6-13)4-9(12)7-14/h8-9,14H,4-7H2,1-3H3
InChIKeyVCEGEEKOMJQTDC-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.57
Rot. Bonds3

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

tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate (PubChem CID 122239983) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate
PubChem CID122239983
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CC(F)CO)C1
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-8(6-13)4-9(12)7-14/h8-9,14H,4-7H2,1-3H3
InChIKeyVCEGEEKOMJQTDC-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate (CID 122239983) is tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CC(F)CO)C1.
What is the InChIKey of tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate?
The InChIKey is VCEGEEKOMJQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-8(6-13)4-9(12)7-14/h8-9,14H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate?
tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate is sourced from PubChem (CID 122239983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).