2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid

C7H8F3NO3 — CID 151892955

IUPAC2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)C(=O)C1CN(CC(F)(F)F)C1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-11-1-4(2-11)5(12)6(13)14/h4H,1-3H2,(H,13,14)
InChIKeySRCUFAWIRHEWER-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.13
Rot. Bonds3

About 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid

2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid (PubChem CID 151892955) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid
PubChem CID151892955
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)C(=O)C1CN(CC(F)(F)F)C1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-11-1-4(2-11)5(12)6(13)14/h4H,1-3H2,(H,13,14)
InChIKeySRCUFAWIRHEWER-UHFFFAOYSA-N
XLogP0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid (CID 151892955) is 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid is O=C(O)C(=O)C1CN(CC(F)(F)F)C1.
What is the InChIKey of 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid?
The InChIKey is SRCUFAWIRHEWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)3-11-1-4(2-11)5(12)6(13)14/h4H,1-3H2,(H,13,14).
What are the key properties of 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid?
2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid has a molecular weight of 211.14 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 151892955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).