2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone

C12H13F3N2O2 — CID 67479763

IUPAC2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
SMILESNCC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-9(4-8)19-10-6-17(7-10)11(18)5-16/h1-4,10H,5-7,16H2
InChIKeyQDQMTEJVJYNPPB-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone

2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone (PubChem CID 67479763) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
PubChem CID67479763
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
SMILESNCC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-9(4-8)19-10-6-17(7-10)11(18)5-16/h1-4,10H,5-7,16H2
InChIKeyQDQMTEJVJYNPPB-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
CID 15053421
1-(3-pyridin-4-yloxyazetidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 155800940
N-[2-oxo-2-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 66591713
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
6-[3-(trifluoromethyl)phenoxy]-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 158356858
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
CID 166415195
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
N-[3-(diethylamino)propyl]-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carbothioamide
CID 15053385

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone (CID 67479763) is 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone is NCC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone?
The InChIKey is QDQMTEJVJYNPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-9(4-8)19-10-6-17(7-10)11(18)5-16/h1-4,10H,5-7,16H2.
What are the key properties of 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone?
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone has a molecular weight of 274.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 67479763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).