2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid

C12H12F3NO4 — CID 107140981

IUPAC2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2ccccc2OC(F)(F)F)CNC1
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)20-9-4-2-1-3-8(9)19-11(5-10(17)18)6-16-7-11/h1-4,16H,5-7H2,(H,17,18)
InChIKeyRHRDIMSSBUTQNV-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.78
Rot. Bonds5

About 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid

2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid (PubChem CID 107140981) has the molecular formula C12H12F3NO4 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
PubChem CID107140981
Molecular FormulaC12H12F3NO4
Molecular Weight291.22 g/mol
Exact Mass291.07
IUPAC Name2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2ccccc2OC(F)(F)F)CNC1
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)20-9-4-2-1-3-8(9)19-11(5-10(17)18)6-16-7-11/h1-4,16H,5-7H2,(H,17,18)
InChIKeyRHRDIMSSBUTQNV-UHFFFAOYSA-N
XLogP1.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
CID 107140719
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140808
2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
CID 107141007
2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140720
2-[3-[4-(2-oxopyrrolidin-1-yl)phenoxy]azetidin-3-yl]acetic acid
CID 107140819
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
2-[3-(4,5-dichloro-2-nitrophenoxy)azetidin-3-yl]acetic acid
CID 107499259
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
CID 107140830
1-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543771
2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
3,4-dihydroxy-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 171878259

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid (CID 107140981) is 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid is O=C(O)CC1(Oc2ccccc2OC(F)(F)F)CNC1.
What is the InChIKey of 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid?
The InChIKey is RHRDIMSSBUTQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO4/c13-12(14,15)20-9-4-2-1-3-8(9)19-11(5-10(17)18)6-16-7-11/h1-4,16H,5-7H2,(H,17,18).
What are the key properties of 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid?
2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid has a molecular weight of 291.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).