2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid

C6H8F3NO2 — CID 137480122

IUPAC2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-1-10(2-4)3-5(11)12/h4H,1-3H2,(H,11,12)
InChIKeyAXFHVLUXCWLXCS-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.57
Rot. Bonds2

About 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid

2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid (PubChem CID 137480122) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid
PubChem CID137480122
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-1-10(2-4)3-5(11)12/h4H,1-3H2,(H,11,12)
InChIKeyAXFHVLUXCWLXCS-UHFFFAOYSA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Azetidin-1-yl)acetic acid
CID 18923029
2-(3-Methylazetidin-1-yl)acetic acid hydrochloride
CID 119031933
2-(3,3-Difluoroazetidin-1-yl)acetic acid hydrochloride
CID 132372203
2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 63065927
2-(3-Methylazetidin-1-yl)acetic acid
CID 66792458
2-(3,3-Difluoroazetidin-1-yl)acetic acid
CID 89399883
2-(3,3-Difluoroazetidin-1-yl)propanoic acid
CID 121215370
Fluoro 2,2-difluoro-2-(3-hydroxy-3-methylazetidin-1-yl)acetate
CID 146316922
Lithium 2-(3,3-difluoroazetidin-1-yl)acetate
CID 171787064
2-[(2R)-3,3-difluoro-2-methylazetidin-1-yl]acetic acid
CID 176238471
2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]acetic acid
CID 176238542
2-(3,3-Difluoro-2-methylazetidin-1-yl)acetic acid
CID 176675906

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid (CID 137480122) is 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid is O=C(O)CN1CC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid?
The InChIKey is AXFHVLUXCWLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)4-1-10(2-4)3-5(11)12/h4H,1-3H2,(H,11,12).
What are the key properties of 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid?
2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid has a molecular weight of 183.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)azetidin-1-yl]acetic acid is sourced from PubChem (CID 137480122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).