1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione

C6H2F5NO2 — CID 22182925

IUPAC1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F5NO2/c7-5(8,9)6(10,11)12-3(13)1-2-4(12)14/h1-2H
InChIKeyMWIPCPJOXVBJQN-UHFFFAOYSA-N
MW215.08 g/mol
LogP1.07
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione

1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione (PubChem CID 22182925) has the molecular formula C6H2F5NO2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione
PubChem CID22182925
Molecular FormulaC6H2F5NO2
Molecular Weight215.08 g/mol
Exact Mass215.00
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F5NO2/c7-5(8,9)6(10,11)12-3(13)1-2-4(12)14/h1-2H
InChIKeyMWIPCPJOXVBJQN-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19821160
1-(Trifluoromethoxy)pyrrole-2,5-dione
CID 19076718
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
1-(1,1,2,2,3,3,4,4-Octafluorobutyl)pyrrole-2,5-dione
CID 21662069
1-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)pyrrole-2,5-dione
CID 22182914
1-(Trifluoromethyl)-3-pyrroline-2,5-dione
CID 22182915
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)pyrrole-2,5-dione
CID 87220000
1-(1,1,1,2,3,3-Hexafluoropropan-2-yl)pyrrole-2,5-dione
CID 87533793
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)pyrrole-2,5-dione
CID 87533794
1,3-Difluoropyrrole-2,5-dione
CID 88791500
1-(2-Fluoroprop-2-enoyl)pyrrole-2,5-dione
CID 139381363
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
CID 139543847

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione (CID 22182925) is 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione?
The InChIKey is MWIPCPJOXVBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO2/c7-5(8,9)6(10,11)12-3(13)1-2-4(12)14/h1-2H.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione?
1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione has a molecular weight of 215.08 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)pyrrole-2,5-dione is sourced from PubChem (CID 22182925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).