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

C9H16F3NO2 — CID 145332459

IUPACethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
SMILESCC.COC1(C(F)(F)F)CN(C(C)=O)C1
InChIInChI=1S/C7H10F3NO2.C2H6/c1-5(12)11-3-6(4-11,13-2)7(8,9)10;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyQOJABMCKCYQNJY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.82
Rot. Bonds1

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

ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone (PubChem CID 145332459) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
PubChem CID145332459
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Nameethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
SMILESCC.COC1(C(F)(F)F)CN(C(C)=O)C1
InChIInChI=1S/C7H10F3NO2.C2H6/c1-5(12)11-3-6(4-11,13-2)7(8,9)10;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyQOJABMCKCYQNJY-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
The IUPAC name of ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone (CID 145332459) is ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone is CC.COC1(C(F)(F)F)CN(C(C)=O)C1.
What is the InChIKey of ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
The InChIKey is QOJABMCKCYQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2.C2H6/c1-5(12)11-3-6(4-11,13-2)7(8,9)10;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone?
ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone has a molecular weight of 227.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 145332459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).