ethyl 2-(3-fluoroazetidin-3-yl)acetate

C7H12FNO2 — CID 115012627

IUPACethyl 2-(3-fluoroazetidin-3-yl)acetate
SMILESCCOC(=O)CC1(F)CNC1
InChIInChI=1S/C7H12FNO2/c1-2-11-6(10)3-7(8)4-9-5-7/h9H,2-5H2,1H3
InChIKeyCONMAPUSAQSDCM-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds3

About ethyl 2-(3-fluoroazetidin-3-yl)acetate

ethyl 2-(3-fluoroazetidin-3-yl)acetate (PubChem CID 115012627) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is ethyl 2-(3-fluoroazetidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoroazetidin-3-yl)acetate
PubChem CID115012627
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Nameethyl 2-(3-fluoroazetidin-3-yl)acetate
SMILESCCOC(=O)CC1(F)CNC1
InChIInChI=1S/C7H12FNO2/c1-2-11-6(10)3-7(8)4-9-5-7/h9H,2-5H2,1H3
InChIKeyCONMAPUSAQSDCM-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(azetidin-3-yl)acetate; trifluoroacetic acid
CID 137701491
Ethyl 2-(azetidin-3-yl)-2-fluoroacetate hydrochloride
CID 119032071
Methyl 2-(3-methylazetidin-3-yl)acetate hydrochloride
CID 165997206
Ethyl 2-(3-fluoroazetidin-3-yl)acetate hydrochloride
CID 167733538
[2-(Azetidin-3-yl)acetyl] 2,2,2-trifluoroacetate
CID 87273895
Ethyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 119032072
Methyl 2-(3-fluoroazetidin-3-yl)acetate
CID 115011709
ethyl (2S)-2-(azetidin-3-yl)-2-fluoroacetate
CID 124710137
ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate
CID 124710138
Methyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 131343495
Tert-butyl 2-(3-fluoroazetidin-3-yl)acetate
CID 167741671
Methyl 2-(azetidin-3-yl)acetate
CID 53408531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoroazetidin-3-yl)acetate?
The IUPAC name of ethyl 2-(3-fluoroazetidin-3-yl)acetate (CID 115012627) is ethyl 2-(3-fluoroazetidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-fluoroazetidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-fluoroazetidin-3-yl)acetate is CCOC(=O)CC1(F)CNC1.
What is the InChIKey of ethyl 2-(3-fluoroazetidin-3-yl)acetate?
The InChIKey is CONMAPUSAQSDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-11-6(10)3-7(8)4-9-5-7/h9H,2-5H2,1H3.
What are the key properties of ethyl 2-(3-fluoroazetidin-3-yl)acetate?
ethyl 2-(3-fluoroazetidin-3-yl)acetate has a molecular weight of 161.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoroazetidin-3-yl)acetate is sourced from PubChem (CID 115012627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).