sodium 1-(2-fluoroethyl)azetidine-3-carboxylate

C6H9FNNaO2 — CID 134498595

IUPACsodium 1-(2-fluoroethyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(CCF)C1.[Na+]
InChIInChI=1S/C6H10FNO2.Na/c7-1-2-8-3-5(4-8)6(9)10;/h5H,1-4H2,(H,9,10);/q;+1/p-1
InChIKeyCOCFNMYXSJYBFT-UHFFFAOYSA-M
MW169.13 g/mol
LogP-4.36
Rot. Bonds3

About sodium 1-(2-fluoroethyl)azetidine-3-carboxylate

sodium 1-(2-fluoroethyl)azetidine-3-carboxylate (PubChem CID 134498595) has the molecular formula C6H9FNNaO2 and a molecular weight of 169.13 g/mol. Its IUPAC name is sodium 1-(2-fluoroethyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namesodium 1-(2-fluoroethyl)azetidine-3-carboxylate
PubChem CID134498595
Molecular FormulaC6H9FNNaO2
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Namesodium 1-(2-fluoroethyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(CCF)C1.[Na+]
InChIInChI=1S/C6H10FNO2.Na/c7-1-2-8-3-5(4-8)6(9)10;/h5H,1-4H2,(H,9,10);/q;+1/p-1
InChIKeyCOCFNMYXSJYBFT-UHFFFAOYSA-M
XLogP-4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-4.36
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
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-Ethyl-3-fluoroazetidine-3-carboxylic acid
CID 177038185
1-(3-Fluoropropyl)azetidine-3-carboxylic acid
CID 81114366

Frequently Asked Questions

What is the IUPAC name of sodium 1-(2-fluoroethyl)azetidine-3-carboxylate?
The IUPAC name of sodium 1-(2-fluoroethyl)azetidine-3-carboxylate (CID 134498595) is sodium 1-(2-fluoroethyl)azetidine-3-carboxylate.
What is the SMILES notation for sodium 1-(2-fluoroethyl)azetidine-3-carboxylate?
The canonical SMILES for sodium 1-(2-fluoroethyl)azetidine-3-carboxylate is O=C([O-])C1CN(CCF)C1.[Na+].
What is the InChIKey of sodium 1-(2-fluoroethyl)azetidine-3-carboxylate?
The InChIKey is COCFNMYXSJYBFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10FNO2.Na/c7-1-2-8-3-5(4-8)6(9)10;/h5H,1-4H2,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 1-(2-fluoroethyl)azetidine-3-carboxylate?
sodium 1-(2-fluoroethyl)azetidine-3-carboxylate has a molecular weight of 169.13 g/mol, XLogP of -4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(2-fluoroethyl)azetidine-3-carboxylate is sourced from PubChem (CID 134498595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).