sodium 2-(3-fluorooxetan-3-yl)acetate

C5H6FNaO3 — CID 164886298

IUPACsodium 2-(3-fluorooxetan-3-yl)acetate
SMILESO=C([O-])CC1(F)COC1.[Na+]
InChIInChI=1S/C5H7FO3.Na/c6-5(1-4(7)8)2-9-3-5;/h1-3H2,(H,7,8);/q;+1/p-1
InChIKeyQKXBMEDQDLOLML-UHFFFAOYSA-M
MW156.09 g/mol
LogP-4.13
Rot. Bonds2

About sodium 2-(3-fluorooxetan-3-yl)acetate

sodium 2-(3-fluorooxetan-3-yl)acetate (PubChem CID 164886298) has the molecular formula C5H6FNaO3 and a molecular weight of 156.09 g/mol. Its IUPAC name is sodium 2-(3-fluorooxetan-3-yl)acetate.

Molecular Properties

Compound Namesodium 2-(3-fluorooxetan-3-yl)acetate
PubChem CID164886298
Molecular FormulaC5H6FNaO3
Molecular Weight156.09 g/mol
Exact Mass156.02
IUPAC Namesodium 2-(3-fluorooxetan-3-yl)acetate
SMILESO=C([O-])CC1(F)COC1.[Na+]
InChIInChI=1S/C5H7FO3.Na/c6-5(1-4(7)8)2-9-3-5;/h1-3H2,(H,7,8);/q;+1/p-1
InChIKeyQKXBMEDQDLOLML-UHFFFAOYSA-M
XLogP-4.13
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 5-4.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-fluorooxetan-3-yl)acetate?
The IUPAC name of sodium 2-(3-fluorooxetan-3-yl)acetate (CID 164886298) is sodium 2-(3-fluorooxetan-3-yl)acetate.
What is the SMILES notation for sodium 2-(3-fluorooxetan-3-yl)acetate?
The canonical SMILES for sodium 2-(3-fluorooxetan-3-yl)acetate is O=C([O-])CC1(F)COC1.[Na+].
What is the InChIKey of sodium 2-(3-fluorooxetan-3-yl)acetate?
The InChIKey is QKXBMEDQDLOLML-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7FO3.Na/c6-5(1-4(7)8)2-9-3-5;/h1-3H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-(3-fluorooxetan-3-yl)acetate?
sodium 2-(3-fluorooxetan-3-yl)acetate has a molecular weight of 156.09 g/mol, XLogP of -4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-fluorooxetan-3-yl)acetate is sourced from PubChem (CID 164886298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).