1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one

C8H12F3NO2 — CID 129269983

IUPAC1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(OC)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-3-6(13)12-4-7(5-12,14-2)8(9,10)11/h3-5H2,1-2H3
InChIKeyCFROYEJOCXOCPK-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.19
Rot. Bonds2

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

1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one (PubChem CID 129269983) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
PubChem CID129269983
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(OC)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-3-6(13)12-4-7(5-12,14-2)8(9,10)11/h3-5H2,1-2H3
InChIKeyCFROYEJOCXOCPK-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one (CID 129269983) is 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one is CCC(=O)N1CC(OC)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
The InChIKey is CFROYEJOCXOCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-3-6(13)12-4-7(5-12,14-2)8(9,10)11/h3-5H2,1-2H3.
What are the key properties of 1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one?
1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one has a molecular weight of 211.18 g/mol, XLogP of 1.19, 2 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]propan-1-one is sourced from PubChem (CID 129269983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).