(2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid

C5H6F3NO2 — CID 126970334

IUPAC(2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(C(F)(F)F)CCN1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4(3(10)11)1-2-9-4/h9H,1-2H2,(H,10,11)/t4-/m1/s1
InChIKeyKBQYIZWRARDRKI-SCSAIBSYSA-N
MW169.10 g/mol
LogP0.37
Rot. Bonds1

About (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid

(2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid (PubChem CID 126970334) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid
PubChem CID126970334
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(C(F)(F)F)CCN1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4(3(10)11)1-2-9-4/h9H,1-2H2,(H,10,11)/t4-/m1/s1
InChIKeyKBQYIZWRARDRKI-SCSAIBSYSA-N
XLogP0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azetidinecarboxylic acid, (S)-
CID 16486
Azetidinecarboxylic Acid
CID 17288
2-Azetidinecarboxylic acid, (+)-
CID 637601
2-Methylazetidine-2-carboxylic acid hydrochloride
CID 70557228
3-Fluoroazetidine-2-carboxylic acid
CID 21427937
2-Methylazetidine-2-carboxylic acid
CID 68532073
(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid
CID 122462389
(2R)-azetidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 135241683
CID 135241686
CID 135241686
(2R,3R)-3-Fluoroazetidine-2-carboxylic acid
CID 55287234
(2S)-azetidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 121225930
3,3-Difluoroazetidine-2-carboxylic acid
CID 131173323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid (CID 126970334) is (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid is O=C(O)[C@@]1(C(F)(F)F)CCN1.
What is the InChIKey of (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid?
The InChIKey is KBQYIZWRARDRKI-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)4(3(10)11)1-2-9-4/h9H,1-2H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid?
(2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid has a molecular weight of 169.10 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(trifluoromethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 126970334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).