(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C16H13F3N2O2 — CID 122247141

IUPAC(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)13-6-2-1-5-12(13)15(22)21-9-11(10-21)23-14-7-3-4-8-20-14/h1-8,11H,9-10H2
InChIKeyMFDKXUSKASYJBM-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.00
Rot. Bonds3

About (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 122247141) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID122247141
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)13-6-2-1-5-12(13)15(22)21-9-11(10-21)23-14-7-3-4-8-20-14/h1-8,11H,9-10H2
InChIKeyMFDKXUSKASYJBM-UHFFFAOYSA-N
XLogP3.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347
(2-iodophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251330
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247268
(2-ethylsulfanylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250908
[2-(trifluoromethoxy)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251550
[2-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70232990
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
CID 129417057
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
(5-methyl-1,2-oxazol-4-yl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251033

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 122247141) is (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CC(Oc2ccccn2)C1.
What is the InChIKey of (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is MFDKXUSKASYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)13-6-2-1-5-12(13)15(22)21-9-11(10-21)23-14-7-3-4-8-20-14/h1-8,11H,9-10H2.
What are the key properties of (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 322.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 122247141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).