1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one

C10H16F3NO2 — CID 137444491

IUPAC1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC1(C(F)(F)F)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H16F3NO2/c1-8(2,3)7(15)14-5-9(6-14,16-4)10(11,12)13/h5-6H2,1-4H3
InChIKeyZVCJAMZIKDTKHY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds1

About 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 137444491) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID137444491
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC1(C(F)(F)F)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H16F3NO2/c1-8(2,3)7(15)14-5-9(6-14,16-4)10(11,12)13/h5-6H2,1-4H3
InChIKeyZVCJAMZIKDTKHY-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
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]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one (CID 137444491) is 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one is COC1(C(F)(F)F)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZVCJAMZIKDTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-8(2,3)7(15)14-5-9(6-14,16-4)10(11,12)13/h5-6H2,1-4H3.
What are the key properties of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 239.24 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 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 137444491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).