1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone

C7H12FNO2 — CID 175874230

IUPAC1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone
SMILESCOCC1(F)CN(C(C)=O)C1
InChIInChI=1S/C7H12FNO2/c1-6(10)9-3-7(8,4-9)5-11-2/h3-5H2,1-2H3
InChIKeyAHQBDZNTBBYFPP-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.20
Rot. Bonds2

About 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone

1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone (PubChem CID 175874230) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone
PubChem CID175874230
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone
SMILESCOCC1(F)CN(C(C)=O)C1
InChIInChI=1S/C7H12FNO2/c1-6(10)9-3-7(8,4-9)5-11-2/h3-5H2,1-2H3
InChIKeyAHQBDZNTBBYFPP-UHFFFAOYSA-N
XLogP0.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone (CID 175874230) is 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone is COCC1(F)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone?
The InChIKey is AHQBDZNTBBYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-6(10)9-3-7(8,4-9)5-11-2/h3-5H2,1-2H3.
What are the key properties of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone?
1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone has a molecular weight of 161.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 175874230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).