2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone

C14H15F3N2O2 — CID 139028611

IUPAC2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)12-6-10(3-4-18-12)21-11-7-19(8-11)13(20)5-9-1-2-9/h3-4,6,9,11H,1-2,5,7-8H2
InChIKeyIYSUUGCZGQBLMX-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone

2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 139028611) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID139028611
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)12-6-10(3-4-18-12)21-11-7-19(8-11)13(20)5-9-1-2-9/h3-4,6,9,11H,1-2,5,7-8H2
InChIKeyIYSUUGCZGQBLMX-UHFFFAOYSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 146080741
(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 163353329
3-[2-oxo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 139027827
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
CID 139028928
1,3-benzothiazol-6-yl-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 146080704
(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
CID 175716062
ethyl 2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoate
CID 121318815
1-(3-pyridin-4-yloxyazetidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 155800940
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine
CID 121318767
4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256922
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 139028611) is 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone is O=C(CC1CC1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is IYSUUGCZGQBLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)12-6-10(3-4-18-12)21-11-7-19(8-11)13(20)5-9-1-2-9/h3-4,6,9,11H,1-2,5,7-8H2.
What are the key properties of 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone?
2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 300.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 139028611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).