2-(3,3-difluoropyrrolidin-1-yl)butanoic acid

C8H13F2NO2 — CID 67321754

IUPAC2-(3,3-difluoropyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-2-6(7(12)13)11-4-3-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyAXFLMMVNPFSLPJ-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.19
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid

2-(3,3-difluoropyrrolidin-1-yl)butanoic acid (PubChem CID 67321754) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)butanoic acid
PubChem CID67321754
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-2-6(7(12)13)11-4-3-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyAXFLMMVNPFSLPJ-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid (CID 67321754) is 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
The InChIKey is AXFLMMVNPFSLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-6(7(12)13)11-4-3-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
2-(3,3-difluoropyrrolidin-1-yl)butanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 67321754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).