3-(2-fluoropropan-2-yl)pyrrole-2,5-dione

C7H8FNO2 — CID 139973209

IUPAC3-(2-fluoropropan-2-yl)pyrrole-2,5-dione
SMILESCC(C)(F)C1=CC(=O)NC1=O
InChIInChI=1S/C7H8FNO2/c1-7(2,8)4-3-5(10)9-6(4)11/h3H,1-2H3,(H,9,10,11)
InChIKeyVWMAGNOEQCYNCK-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.32
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione

3-(2-fluoropropan-2-yl)pyrrole-2,5-dione (PubChem CID 139973209) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)pyrrole-2,5-dione
PubChem CID139973209
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name3-(2-fluoropropan-2-yl)pyrrole-2,5-dione
SMILESCC(C)(F)C1=CC(=O)NC1=O
InChIInChI=1S/C7H8FNO2/c1-7(2,8)4-3-5(10)9-6(4)11/h3H,1-2H3,(H,9,10,11)
InChIKeyVWMAGNOEQCYNCK-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione (CID 139973209) is 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione is CC(C)(F)C1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione?
The InChIKey is VWMAGNOEQCYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-7(2,8)4-3-5(10)9-6(4)11/h3H,1-2H3,(H,9,10,11).
What are the key properties of 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione?
3-(2-fluoropropan-2-yl)pyrrole-2,5-dione has a molecular weight of 157.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 139973209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).