ethyl 3-fluoroazetidine-3-carboxylate

C6H10FNO2 — CID 112756496

IUPACethyl 3-fluoroazetidine-3-carboxylate
SMILESCCOC(=O)C1(F)CNC1
InChIInChI=1S/C6H10FNO2/c1-2-10-5(9)6(7)3-8-4-6/h8H,2-4H2,1H3
InChIKeyZDJXQTYFMSUDMK-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.14
Rot. Bonds2

About ethyl 3-fluoroazetidine-3-carboxylate

ethyl 3-fluoroazetidine-3-carboxylate (PubChem CID 112756496) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is ethyl 3-fluoroazetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoroazetidine-3-carboxylate
PubChem CID112756496
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Nameethyl 3-fluoroazetidine-3-carboxylate
SMILESCCOC(=O)C1(F)CNC1
InChIInChI=1S/C6H10FNO2/c1-2-10-5(9)6(7)3-8-4-6/h8H,2-4H2,1H3
InChIKeyZDJXQTYFMSUDMK-UHFFFAOYSA-N
XLogP-0.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoroazetidine-3-carboxylate?
The IUPAC name of ethyl 3-fluoroazetidine-3-carboxylate (CID 112756496) is ethyl 3-fluoroazetidine-3-carboxylate.
What is the SMILES notation for ethyl 3-fluoroazetidine-3-carboxylate?
The canonical SMILES for ethyl 3-fluoroazetidine-3-carboxylate is CCOC(=O)C1(F)CNC1.
What is the InChIKey of ethyl 3-fluoroazetidine-3-carboxylate?
The InChIKey is ZDJXQTYFMSUDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-2-10-5(9)6(7)3-8-4-6/h8H,2-4H2,1H3.
What are the key properties of ethyl 3-fluoroazetidine-3-carboxylate?
ethyl 3-fluoroazetidine-3-carboxylate has a molecular weight of 147.15 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoroazetidine-3-carboxylate is sourced from PubChem (CID 112756496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).