1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione

C9H11F2NO3 — CID 106172546

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C9H11F2NO3/c1-5-6(2)8(15)12(7(5)14)3-9(10,11)4-13/h13H,3-4H2,1-2H3
InChIKeyYGVPREIFSGUWPC-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.32
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione

1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 106172546) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID106172546
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C9H11F2NO3/c1-5-6(2)8(15)12(7(5)14)3-9(10,11)4-13/h13H,3-4H2,1-2H3
InChIKeyYGVPREIFSGUWPC-UHFFFAOYSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.32
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-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
CID 118342067
2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 118342156
3,4-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649132
1-(3,3-Difluoro-2-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 105649232
1-(2,2-Difluoro-3-hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 106172603
1-(1-Hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
CID 19880484
N-(2,2-dimethyl-3-hydroxypropyl)dimethylmaleimide
CID 20209920
1-(3-Hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 20479873
1-(3-Hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 61206770
1-(3-Hydroxybutyl)-3,4-dimethylpyrrole-2,5-dione
CID 64910869
1-(3-Hydroxy-2-methylpropyl)-3,4-dimethylpyrrole-2,5-dione
CID 65036384

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione (CID 106172546) is 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CC(F)(F)CO)C1=O.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is YGVPREIFSGUWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c1-5-6(2)8(15)12(7(5)14)3-9(10,11)4-13/h13H,3-4H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione?
1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 219.19 g/mol, XLogP of 0.32, 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)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 106172546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).