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

C6H8F2KNO2 — CID 86775711

IUPACpotassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(CC(F)F)C1.[K+]
InChIInChI=1S/C6H9F2NO2.K/c7-5(8)3-9-1-4(2-9)6(10)11;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1
InChIKeyVFUQLRYFIVUDIG-UHFFFAOYSA-M
MW203.23 g/mol
LogP-4.06
Rot. Bonds3

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

potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate (PubChem CID 86775711) has the molecular formula C6H8F2KNO2 and a molecular weight of 203.23 g/mol. Its IUPAC name is potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namepotassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
PubChem CID86775711
Molecular FormulaC6H8F2KNO2
Molecular Weight203.23 g/mol
Exact Mass203.02
IUPAC Namepotassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(CC(F)F)C1.[K+]
InChIInChI=1S/C6H9F2NO2.K/c7-5(8)3-9-1-4(2-9)6(10)11;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1
InChIKeyVFUQLRYFIVUDIG-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 ≤ 500203.23
LogP ≤ 5-4.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
Sodium 1-(2-fluoroethyl)azetidine-3-carboxylate
CID 134498595
Lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
CID 170912962
Lithium 1-(2,2-difluoropropyl)azetidine-3-carboxylate
CID 177800022
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

Frequently Asked Questions

What is the IUPAC name of potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
The IUPAC name of potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate (CID 86775711) is potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate.
What is the SMILES notation for potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
The canonical SMILES for potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate is O=C([O-])C1CN(CC(F)F)C1.[K+].
What is the InChIKey of potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
The InChIKey is VFUQLRYFIVUDIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9F2NO2.K/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 potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate?
potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate has a molecular weight of 203.23 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 potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate is sourced from PubChem (CID 86775711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).