(3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C18H17F3N2O2 — CID 122251808

IUPAC(3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1C
InChIInChI=1S/C18H17F3N2O2/c1-11-6-7-13(8-12(11)2)17(24)23-9-14(10-23)25-16-5-3-4-15(22-16)18(19,20)21/h3-8,14H,9-10H2,1-2H3
InChIKeyDQODFADDOVCEEI-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.62
Rot. Bonds3

About (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

(3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251808) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251808
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name(3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1C
InChIInChI=1S/C18H17F3N2O2/c1-11-6-7-13(8-12(11)2)17(24)23-9-14(10-23)25-16-5-3-4-15(22-16)18(19,20)21/h3-8,14H,9-10H2,1-2H3
InChIKeyDQODFADDOVCEEI-UHFFFAOYSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251808) is (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is Cc1ccc(C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is DQODFADDOVCEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11-6-7-13(8-12(11)2)17(24)23-9-14(10-23)25-16-5-3-4-15(22-16)18(19,20)21/h3-8,14H,9-10H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 350.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).