1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone

C7H10F3NO2 — CID 129269989

IUPAC1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
SMILESCOC1(C(F)(F)F)CN(C(C)=O)C1
InChIInChI=1S/C7H10F3NO2/c1-5(12)11-3-6(4-11,13-2)7(8,9)10/h3-4H2,1-2H3
InChIKeyIAQUXYOIZZPSIG-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.80
Rot. Bonds1

About 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone

1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone (PubChem CID 129269989) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
PubChem CID129269989
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
SMILESCOC1(C(F)(F)F)CN(C(C)=O)C1
InChIInChI=1S/C7H10F3NO2/c1-5(12)11-3-6(4-11,13-2)7(8,9)10/h3-4H2,1-2H3
InChIKeyIAQUXYOIZZPSIG-UHFFFAOYSA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone (CID 129269989) is 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone is COC1(C(F)(F)F)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
The InChIKey is IAQUXYOIZZPSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-5(12)11-3-6(4-11,13-2)7(8,9)10/h3-4H2,1-2H3.
What are the key properties of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 129269989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).