3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one

C24H21F3N2O2 — CID 122247581

IUPAC3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)19-11-12-22(28-14-19)31-20-15-29(16-20)23(30)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2
InChIKeyYKEMZCPACBZQSK-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.91
Rot. Bonds6

About 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one

3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one (PubChem CID 122247581) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
PubChem CID122247581
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)19-11-12-22(28-14-19)31-20-15-29(16-20)23(30)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2
InChIKeyYKEMZCPACBZQSK-UHFFFAOYSA-N
XLogP4.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2-ethylsulfanylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247611
3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247607
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
thiophen-3-yl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247644
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
(3,4,5-triethoxyphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247512
(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one
CID 122247415
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol
CID 166004234
pyridin-3-yl-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 97158981
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
The IUPAC name of 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one (CID 122247581) is 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
The InChIKey is YKEMZCPACBZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c25-24(26,27)19-11-12-22(28-14-19)31-20-15-29(16-20)23(30)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2.
What are the key properties of 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one?
3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one has a molecular weight of 426.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 122247581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).