(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid

C6H6F3NO3 — CID 45080923

IUPAC(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)C(F)(F)F
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)5(13)10-2-1-3(10)4(11)12/h3H,1-2H2,(H,11,12)/t3-/m1/s1
InChIKeyWXLABTHHHSXWLD-GSVOUGTGSA-N
MW197.11 g/mol
LogP0.23
Rot. Bonds1

About (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid

(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid (PubChem CID 45080923) has the molecular formula C6H6F3NO3 and a molecular weight of 197.11 g/mol. Its IUPAC name is (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
PubChem CID45080923
Molecular FormulaC6H6F3NO3
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)C(F)(F)F
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)5(13)10-2-1-3(10)4(11)12/h3H,1-2H2,(H,11,12)/t3-/m1/s1
InChIKeyWXLABTHHHSXWLD-GSVOUGTGSA-N
XLogP0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 87217284
2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
CID 171796784
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 167732428
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
(5S)-6-(2,2,2-trifluoroacetyl)-1,2,6-triazaspiro[2.4]hept-1-ene-5-carboxylic acid
CID 166000778
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid (CID 45080923) is (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid is O=C(O)[C@H]1CCN1C(=O)C(F)(F)F.
What is the InChIKey of (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
The InChIKey is WXLABTHHHSXWLD-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H6F3NO3/c7-6(8,9)5(13)10-2-1-3(10)4(11)12/h3H,1-2H2,(H,11,12)/t3-/m1/s1.
What are the key properties of (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid has a molecular weight of 197.11 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 45080923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).