1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione

C7H7F2NO3 — CID 106172600

IUPAC1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(F)(F)CO
InChIInChI=1S/C7H7F2NO3/c8-7(9,4-11)3-10-5(12)1-2-6(10)13/h1-2,11H,3-4H2
InChIKeyGPGHAJHYKWKBGD-UHFFFAOYSA-N
MW191.13 g/mol
LogP-0.46
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione

1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione (PubChem CID 106172600) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione
PubChem CID106172600
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(F)(F)CO
InChIInChI=1S/C7H7F2NO3/c8-7(9,4-11)3-10-5(12)1-2-6(10)13/h1-2,11H,3-4H2
InChIKeyGPGHAJHYKWKBGD-UHFFFAOYSA-N
XLogP-0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22177285
1-(3,3,3-Trifluoropropyl)pyrrole-2,5-dione
CID 60977137
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649104
1-(3,3-Difluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649194
1-(2,2-Difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 106172603
1-(2,2,3-Trifluoropropyl)pyrrole-2,5-dione
CID 167658459
1-(1-Hydroxypropyl)pyrrole-2,5-dione
CID 57054053
Ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione
CID 160778242
1-(1,3-Dihydroxypropyl)pyrrole-2,5-dione
CID 174963596

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione (CID 106172600) is 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione?
The InChIKey is GPGHAJHYKWKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c8-7(9,4-11)3-10-5(12)1-2-6(10)13/h1-2,11H,3-4H2.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione?
1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione has a molecular weight of 191.13 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 106172600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).