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

C8H9F2NO3 — CID 106172603

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C8H9F2NO3/c1-5-2-6(13)11(7(5)14)3-8(9,10)4-12/h2,12H,3-4H2,1H3
InChIKeyADCBAMAYCYTVLO-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.07
Rot. Bonds3

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

1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione (PubChem CID 106172603) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione
PubChem CID106172603
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C8H9F2NO3/c1-5-2-6(13)11(7(5)14)3-8(9,10)4-12/h2,12H,3-4H2,1H3
InChIKeyADCBAMAYCYTVLO-UHFFFAOYSA-N
XLogP-0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.07
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

3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 118342014
3-Methyl-1-(2,3,3-trifluoropropyl)pyrrole-2,5-dione
CID 175371733
3-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649118
1-(3,3-Difluoro-2-hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 105649220
1-(2,2-Difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 106172546
1-(2,2-Difluoro-3-hydroxypropyl)pyrrole-2,5-dione
CID 106172600
3-Methyl-1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione
CID 115520126
1-(3,3-Difluoropropyl)-3-methylpyrrole-2,5-dione
CID 130616059
1-(3,3-Difluorobutyl)-3-methylpyrrole-2,5-dione
CID 130671855
(Z)-1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylbut-2-en-1-one
CID 133665775
1-(3-Hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 20479873

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione (CID 106172603) is 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC(F)(F)CO)C1=O.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione?
The InChIKey is ADCBAMAYCYTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-5-2-6(13)11(7(5)14)3-8(9,10)4-12/h2,12H,3-4H2,1H3.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione?
1-(2,2-difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione has a molecular weight of 205.16 g/mol, XLogP of -0.07, 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)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 106172603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).