[3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

C11H17F3N2O2 — CID 156829442

IUPAC[3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
SMILESCC(N)C1CN(C(=O)C2CC(O)(C(F)(F)F)C2)C1
InChIInChI=1S/C11H17F3N2O2/c1-6(15)8-4-16(5-8)9(17)7-2-10(18,3-7)11(12,13)14/h6-8,18H,2-5,15H2,1H3
InChIKeyASZHYDGEJXSAJG-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.50
Rot. Bonds2

About [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

[3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 156829442) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
PubChem CID156829442
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name[3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
SMILESCC(N)C1CN(C(=O)C2CC(O)(C(F)(F)F)C2)C1
InChIInChI=1S/C11H17F3N2O2/c1-6(15)8-4-16(5-8)9(17)7-2-10(18,3-7)11(12,13)14/h6-8,18H,2-5,15H2,1H3
InChIKeyASZHYDGEJXSAJG-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (CID 156829442) is [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is CC(N)C1CN(C(=O)C2CC(O)(C(F)(F)F)C2)C1.
What is the InChIKey of [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is ASZHYDGEJXSAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-6(15)8-4-16(5-8)9(17)7-2-10(18,3-7)11(12,13)14/h6-8,18H,2-5,15H2,1H3.
What are the key properties of [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
[3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 266.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)azetidin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 156829442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).