fluoro 3-hydroxyazetidine-1-carboxylate

C4H6FNO3 — CID 156858449

IUPACfluoro 3-hydroxyazetidine-1-carboxylate
SMILESO=C(OF)N1CC(O)C1
InChIInChI=1S/C4H6FNO3/c5-9-4(8)6-1-3(7)2-6/h3,7H,1-2H2
InChIKeyUKLZXNIHWMXVSZ-UHFFFAOYSA-N
MW135.09 g/mol
LogP-0.32
Rot. Bonds

About fluoro 3-hydroxyazetidine-1-carboxylate

fluoro 3-hydroxyazetidine-1-carboxylate (PubChem CID 156858449) has the molecular formula C4H6FNO3 and a molecular weight of 135.09 g/mol. Its IUPAC name is fluoro 3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Namefluoro 3-hydroxyazetidine-1-carboxylate
PubChem CID156858449
Molecular FormulaC4H6FNO3
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Namefluoro 3-hydroxyazetidine-1-carboxylate
SMILESO=C(OF)N1CC(O)C1
InChIInChI=1S/C4H6FNO3/c5-9-4(8)6-1-3(7)2-6/h3,7H,1-2H2
InChIKeyUKLZXNIHWMXVSZ-UHFFFAOYSA-N
XLogP-0.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-hydroxyazetidine-1-carboxylate?
The IUPAC name of fluoro 3-hydroxyazetidine-1-carboxylate (CID 156858449) is fluoro 3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for fluoro 3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for fluoro 3-hydroxyazetidine-1-carboxylate is O=C(OF)N1CC(O)C1.
What is the InChIKey of fluoro 3-hydroxyazetidine-1-carboxylate?
The InChIKey is UKLZXNIHWMXVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3/c5-9-4(8)6-1-3(7)2-6/h3,7H,1-2H2.
What are the key properties of fluoro 3-hydroxyazetidine-1-carboxylate?
fluoro 3-hydroxyazetidine-1-carboxylate has a molecular weight of 135.09 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 156858449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).