3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid

C7H11F2NO2 — CID 118102818

IUPAC3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2/c8-7(9)3-5(10-4-7)1-2-6(11)12/h5,10H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyZQPVXXUOCLWIJM-RXMQYKEDSA-N
MW179.17 g/mol
LogP0.85
Rot. Bonds3

About 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid

3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid (PubChem CID 118102818) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
PubChem CID118102818
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2/c8-7(9)3-5(10-4-7)1-2-6(11)12/h5,10H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyZQPVXXUOCLWIJM-RXMQYKEDSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid (CID 118102818) is 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid is O=C(O)CC[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid?
The InChIKey is ZQPVXXUOCLWIJM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)3-5(10-4-7)1-2-6(11)12/h5,10H,1-4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid?
3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid has a molecular weight of 179.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 118102818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).