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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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).