3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide

C13H15F3N2O2 — CID 156583390

IUPAC3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
SMILESC[C@@H](OC1CN(C(N)=O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(20-11-6-18(7-11)12(17)19)9-3-2-4-10(5-9)13(14,15)16/h2-5,8,11H,6-7H2,1H3,(H2,17,19)/t8-/m1/s1
InChIKeyDBBPOGGTCAKHPS-MRVPVSSYSA-N
MW288.27 g/mol
LogP2.55
Rot. Bonds3

About 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide

3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide (PubChem CID 156583390) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
PubChem CID156583390
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
SMILESC[C@@H](OC1CN(C(N)=O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(20-11-6-18(7-11)12(17)19)9-3-2-4-10(5-9)13(14,15)16/h2-5,8,11H,6-7H2,1H3,(H2,17,19)/t8-/m1/s1
InChIKeyDBBPOGGTCAKHPS-MRVPVSSYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
The IUPAC name of 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide (CID 156583390) is 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
The canonical SMILES for 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide is C[C@@H](OC1CN(C(N)=O)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
The InChIKey is DBBPOGGTCAKHPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(20-11-6-18(7-11)12(17)19)9-3-2-4-10(5-9)13(14,15)16/h2-5,8,11H,6-7H2,1H3,(H2,17,19)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide is sourced from PubChem (CID 156583390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).