2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid

C7H9F4NO2 — CID 67923999

IUPAC2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F4NO2/c8-6(5(13)14,7(9,10)11)12-3-1-2-4-12/h1-4H2,(H,13,14)
InChIKeyQQALNEAMYHFDHP-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.39
Rot. Bonds2

About 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid

2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid (PubChem CID 67923999) has the molecular formula C7H9F4NO2 and a molecular weight of 215.15 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid
PubChem CID67923999
Molecular FormulaC7H9F4NO2
Molecular Weight215.15 g/mol
Exact Mass215.06
IUPAC Name2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F4NO2/c8-6(5(13)14,7(9,10)11)12-3-1-2-4-12/h1-4H2,(H,13,14)
InChIKeyQQALNEAMYHFDHP-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid (CID 67923999) is 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid is O=C(O)C(F)(N1CCCC1)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is QQALNEAMYHFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO2/c8-6(5(13)14,7(9,10)11)12-3-1-2-4-12/h1-4H2,(H,13,14).
What are the key properties of 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid?
2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 215.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 67923999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).