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

C7H13ClFNO2 — CID 167733538

IUPACethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1(F)CNC1.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-2-11-6(10)3-7(8)4-9-5-7;/h9H,2-5H2,1H3;1H
InChIKeyVFUPLPBVRDXHHN-UHFFFAOYSA-N
MW197.64 g/mol
LogP0.67
Rot. Bonds3

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

ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride (PubChem CID 167733538) has the molecular formula C7H13ClFNO2 and a molecular weight of 197.64 g/mol. Its IUPAC name is ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride
PubChem CID167733538
Molecular FormulaC7H13ClFNO2
Molecular Weight197.64 g/mol
Exact Mass197.06
IUPAC Nameethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1(F)CNC1.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-2-11-6(10)3-7(8)4-9-5-7;/h9H,2-5H2,1H3;1H
InChIKeyVFUPLPBVRDXHHN-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(azetidin-3-yl)-2-fluoroacetate hydrochloride
CID 119032071
Methyl 2-(3-methylazetidin-3-yl)acetate hydrochloride
CID 165997206
Ethyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 119032072
Methyl 2-(3-fluoroazetidin-3-yl)acetate
CID 115011709
Ethyl 2-(3-fluoroazetidin-3-yl)acetate
CID 115012627
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
Ethyl 2-(azetidin-3-yl)acetate
CID 54328202
3-Azetidineacetic acid ethyl ester hydrochloride
CID 68918907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride (CID 167733538) is ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride is CCOC(=O)CC1(F)CNC1.Cl.
What is the InChIKey of ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride?
The InChIKey is VFUPLPBVRDXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2.ClH/c1-2-11-6(10)3-7(8)4-9-5-7;/h9H,2-5H2,1H3;1H.
What are the key properties of ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride?
ethyl 2-(3-fluoroazetidin-3-yl)acetate;hydrochloride has a molecular weight of 197.64 g/mol, XLogP of 0.67, 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;hydrochloride is sourced from PubChem (CID 167733538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).