lithium 2-(3,3-difluoroazetidin-1-yl)acetate

C5H6F2LiNO2 — CID 171787064

IUPAClithium 2-(3,3-difluoroazetidin-1-yl)acetate
SMILESO=C([O-])CN1CC(F)(F)C1.[Li+]
InChIInChI=1S/C5H7F2NO2.Li/c6-5(7)2-8(3-5)1-4(9)10;/h1-3H2,(H,9,10);/q;+1/p-1
InChIKeyJICPTYCCAMJVIF-UHFFFAOYSA-M
MW157.04 g/mol
LogP-4.31
Rot. Bonds2

About lithium 2-(3,3-difluoroazetidin-1-yl)acetate

lithium 2-(3,3-difluoroazetidin-1-yl)acetate (PubChem CID 171787064) has the molecular formula C5H6F2LiNO2 and a molecular weight of 157.04 g/mol. Its IUPAC name is lithium 2-(3,3-difluoroazetidin-1-yl)acetate.

Molecular Properties

Compound Namelithium 2-(3,3-difluoroazetidin-1-yl)acetate
PubChem CID171787064
Molecular FormulaC5H6F2LiNO2
Molecular Weight157.04 g/mol
Exact Mass157.05
IUPAC Namelithium 2-(3,3-difluoroazetidin-1-yl)acetate
SMILESO=C([O-])CN1CC(F)(F)C1.[Li+]
InChIInChI=1S/C5H7F2NO2.Li/c6-5(7)2-8(3-5)1-4(9)10;/h1-3H2,(H,9,10);/q;+1/p-1
InChIKeyJICPTYCCAMJVIF-UHFFFAOYSA-M
XLogP-4.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.04
LogP ≤ 5-4.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(3,3-difluoroazetidin-1-yl)acetate?
The IUPAC name of lithium 2-(3,3-difluoroazetidin-1-yl)acetate (CID 171787064) is lithium 2-(3,3-difluoroazetidin-1-yl)acetate.
What is the SMILES notation for lithium 2-(3,3-difluoroazetidin-1-yl)acetate?
The canonical SMILES for lithium 2-(3,3-difluoroazetidin-1-yl)acetate is O=C([O-])CN1CC(F)(F)C1.[Li+].
What is the InChIKey of lithium 2-(3,3-difluoroazetidin-1-yl)acetate?
The InChIKey is JICPTYCCAMJVIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7F2NO2.Li/c6-5(7)2-8(3-5)1-4(9)10;/h1-3H2,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-(3,3-difluoroazetidin-1-yl)acetate?
lithium 2-(3,3-difluoroazetidin-1-yl)acetate has a molecular weight of 157.04 g/mol, XLogP of -4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3,3-difluoroazetidin-1-yl)acetate is sourced from PubChem (CID 171787064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).