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

C6H10FNO2 — CID 115011709

IUPACmethyl 2-(3-fluoroazetidin-3-yl)acetate
SMILESCOC(=O)CC1(F)CNC1
InChIInChI=1S/C6H10FNO2/c1-10-5(9)2-6(7)3-8-4-6/h8H,2-4H2,1H3
InChIKeyQTXGWJLDDZWIDD-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.14
Rot. Bonds2

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

methyl 2-(3-fluoroazetidin-3-yl)acetate (PubChem CID 115011709) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is methyl 2-(3-fluoroazetidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoroazetidin-3-yl)acetate
PubChem CID115011709
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Namemethyl 2-(3-fluoroazetidin-3-yl)acetate
SMILESCOC(=O)CC1(F)CNC1
InChIInChI=1S/C6H10FNO2/c1-10-5(9)2-6(7)3-8-4-6/h8H,2-4H2,1H3
InChIKeyQTXGWJLDDZWIDD-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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Related Compounds

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 3,3-difluoro-4-(methylamino)butanoate
CID 105433269
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoroazetidin-3-yl)acetate?
The IUPAC name of methyl 2-(3-fluoroazetidin-3-yl)acetate (CID 115011709) is methyl 2-(3-fluoroazetidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-fluoroazetidin-3-yl)acetate?
The canonical SMILES for methyl 2-(3-fluoroazetidin-3-yl)acetate is COC(=O)CC1(F)CNC1.
What is the InChIKey of methyl 2-(3-fluoroazetidin-3-yl)acetate?
The InChIKey is QTXGWJLDDZWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-10-5(9)2-6(7)3-8-4-6/h8H,2-4H2,1H3.
What are the key properties of methyl 2-(3-fluoroazetidin-3-yl)acetate?
methyl 2-(3-fluoroazetidin-3-yl)acetate 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 methyl 2-(3-fluoroazetidin-3-yl)acetate is sourced from PubChem (CID 115011709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).