1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one

C11H20FNO2 — CID 155765569

IUPAC1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1(F)CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C11H20FNO2/c1-10(2,3)5-9(14)13-6-11(12,7-13)8-15-4/h5-8H2,1-4H3
InChIKeyXXXCIOWPWMLAQR-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.62
Rot. Bonds3

About 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one

1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 155765569) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID155765569
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1(F)CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C11H20FNO2/c1-10(2,3)5-9(14)13-6-11(12,7-13)8-15-4/h5-8H2,1-4H3
InChIKeyXXXCIOWPWMLAQR-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.62
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]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one (CID 155765569) is 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one is COCC1(F)CN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is XXXCIOWPWMLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-10(2,3)5-9(14)13-6-11(12,7-13)8-15-4/h5-8H2,1-4H3.
What are the key properties of 1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-fluoro-3-(methoxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 217.28 g/mol, XLogP of 1.62, 3 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]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 155765569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).