2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid

C7H11F2NO2 — CID 174770713

IUPAC2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid
SMILESCC1(CC(=O)O)CC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2/c1-6(2-5(11)12)3-7(8,9)4-10-6/h10H,2-4H2,1H3,(H,11,12)
InChIKeyYIEMJUNZNHFKCG-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.85
Rot. Bonds2

About 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid

2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid (PubChem CID 174770713) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid
PubChem CID174770713
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid
SMILESCC1(CC(=O)O)CC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2/c1-6(2-5(11)12)3-7(8,9)4-10-6/h10H,2-4H2,1H3,(H,11,12)
InChIKeyYIEMJUNZNHFKCG-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid (CID 174770713) is 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid is CC1(CC(=O)O)CC(F)(F)CN1.
What is the InChIKey of 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid?
The InChIKey is YIEMJUNZNHFKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-6(2-5(11)12)3-7(8,9)4-10-6/h10H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid?
2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 174770713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).