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

C8H13F2NO2 — CID 118102927

IUPAC3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid
SMILESCC(C[C@@H]1CC(F)(F)CN1)C(=O)O
InChIInChI=1S/C8H13F2NO2/c1-5(7(12)13)2-6-3-8(9,10)4-11-6/h5-6,11H,2-4H2,1H3,(H,12,13)/t5?,6-/m1/s1
InChIKeyGTWKGMQTOASGIM-PRJDIBJQSA-N
MW193.19 g/mol
LogP1.09
Rot. Bonds3

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

3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid (PubChem CID 118102927) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid
PubChem CID118102927
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid
SMILESCC(C[C@@H]1CC(F)(F)CN1)C(=O)O
InChIInChI=1S/C8H13F2NO2/c1-5(7(12)13)2-6-3-8(9,10)4-11-6/h5-6,11H,2-4H2,1H3,(H,12,13)/t5?,6-/m1/s1
InChIKeyGTWKGMQTOASGIM-PRJDIBJQSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.09
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]-2-methylpropanoic acid?
The IUPAC name of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid (CID 118102927) is 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid is CC(C[C@@H]1CC(F)(F)CN1)C(=O)O.
What is the InChIKey of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid?
The InChIKey is GTWKGMQTOASGIM-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(7(12)13)2-6-3-8(9,10)4-11-6/h5-6,11H,2-4H2,1H3,(H,12,13)/t5?,6-/m1/s1.
What are the key properties of 3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid?
3-[(2R)-4,4-difluoropyrrolidin-2-yl]-2-methylpropanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.09, 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]-2-methylpropanoic acid is sourced from PubChem (CID 118102927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).