lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate

C6H8F2LiNO2 — CID 170912962

IUPAClithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(CC(F)F)C1.[Li+]
InChIInChI=1S/C6H9F2NO2.Li/c7-5(8)3-9-1-4(2-9)6(10)11;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1
InChIKeyLRQOFRGLEIDLIN-UHFFFAOYSA-M
MW171.07 g/mol
LogP-4.06
Rot. Bonds3

About lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate

lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate (PubChem CID 170912962) has the molecular formula C6H8F2LiNO2 and a molecular weight of 171.07 g/mol. Its IUPAC name is lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namelithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
PubChem CID170912962
Molecular FormulaC6H8F2LiNO2
Molecular Weight171.07 g/mol
Exact Mass171.07
IUPAC Namelithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(CC(F)F)C1.[Li+]
InChIInChI=1S/C6H9F2NO2.Li/c7-5(8)3-9-1-4(2-9)6(10)11;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1
InChIKeyLRQOFRGLEIDLIN-UHFFFAOYSA-M
XLogP-4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 5-4.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
Potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
CID 86775711
Sodium 1-(2-fluoroethyl)azetidine-3-carboxylate
CID 134498595
1-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 64258950
1-(3,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 64566941
1-(2-Fluoroethyl)azetidine-3-carboxylic acid
CID 80695260
Sodium;1-(2,2,2-trifluoroethyl)azetidine-3-carboxylate
CID 134498602
1-(1,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 175559340
1-(2,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 175567673
1-(3-Fluoropropyl)azetidine-3-carboxylic acid
CID 81114366
3-(Azetidin-1-yl)-2,2-difluoropropanoic acid
CID 84652004
1-(3,3-Difluoropropyl)azetidine-3-carboxylic acid
CID 84656753

Frequently Asked Questions

What is the IUPAC name of lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
The IUPAC name of lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate (CID 170912962) is lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate.
What is the SMILES notation for lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
The canonical SMILES for lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate is O=C([O-])C1CN(CC(F)F)C1.[Li+].
What is the InChIKey of lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
The InChIKey is LRQOFRGLEIDLIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9F2NO2.Li/c7-5(8)3-9-1-4(2-9)6(10)11;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate has a molecular weight of 171.07 g/mol, XLogP of -4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate is sourced from PubChem (CID 170912962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).