methyl 2-(azetidin-3-yl)-2-fluoroacetate

C6H10FNO2 — CID 131343495

IUPACmethyl 2-(azetidin-3-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)C1CNC1
InChIInChI=1S/C6H10FNO2/c1-10-6(9)5(7)4-2-8-3-4/h4-5,8H,2-3H2,1H3
InChIKeyDTJUGUBTJOTMGJ-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.28
Rot. Bonds2

About methyl 2-(azetidin-3-yl)-2-fluoroacetate

methyl 2-(azetidin-3-yl)-2-fluoroacetate (PubChem CID 131343495) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is methyl 2-(azetidin-3-yl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(azetidin-3-yl)-2-fluoroacetate
PubChem CID131343495
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Namemethyl 2-(azetidin-3-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)C1CNC1
InChIInChI=1S/C6H10FNO2/c1-10-6(9)5(7)4-2-8-3-4/h4-5,8H,2-3H2,1H3
InChIKeyDTJUGUBTJOTMGJ-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(azetidin-3-yl)acetate; trifluoroacetic acid
CID 66521690
Ethyl 2-(azetidin-3-yl)acetate; trifluoroacetic acid
CID 137701491
Ethyl 2-(azetidin-3-yl)-2-fluoroacetate hydrochloride
CID 119032071
2-(Azetidin-3-yl)-2-fluoroacetic acid hydrochloride
CID 134163173
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
Tert-butyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 137938000
2-(Azetidin-3-yl)acetic acid;methyl 2,2,2-trifluoroacetate
CID 160756036
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
Methyl 4-amino-2-(fluoromethyl)butanoate
CID 105429292

Frequently Asked Questions

What is the IUPAC name of methyl 2-(azetidin-3-yl)-2-fluoroacetate?
The IUPAC name of methyl 2-(azetidin-3-yl)-2-fluoroacetate (CID 131343495) is methyl 2-(azetidin-3-yl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(azetidin-3-yl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(azetidin-3-yl)-2-fluoroacetate is COC(=O)C(F)C1CNC1.
What is the InChIKey of methyl 2-(azetidin-3-yl)-2-fluoroacetate?
The InChIKey is DTJUGUBTJOTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-10-6(9)5(7)4-2-8-3-4/h4-5,8H,2-3H2,1H3.
What are the key properties of methyl 2-(azetidin-3-yl)-2-fluoroacetate?
methyl 2-(azetidin-3-yl)-2-fluoroacetate has a molecular weight of 147.15 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-3-yl)-2-fluoroacetate is sourced from PubChem (CID 131343495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).