1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione

C7H4F5NO2 — CID 139663612

IUPAC1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F5NO2/c8-6(9,7(10,11)12)3-13-4(14)1-2-5(13)15/h1-2H,3H2
InChIKeyUFJGGSFXMYMCNO-UHFFFAOYSA-N
MW229.10 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione

1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione (PubChem CID 139663612) has the molecular formula C7H4F5NO2 and a molecular weight of 229.10 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione
PubChem CID139663612
Molecular FormulaC7H4F5NO2
Molecular Weight229.10 g/mol
Exact Mass229.02
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F5NO2/c8-6(9,7(10,11)12)3-13-4(14)1-2-5(13)15/h1-2H,3H2
InChIKeyUFJGGSFXMYMCNO-UHFFFAOYSA-N
XLogP1.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
2H-Pyrrol-2-one, 5,5-difluoro-1,5-dihydro-1-methyl-
CID 11263511
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440
N,N-Bis(2,2,2-trifluoroethyl)acrylamide
CID 19792331
1-(2,2,3,4,4,4-Hexafluorobutyl)pyrrole-2,5-dione
CID 19821162
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)pyrrole-2,5-dione
CID 19821164
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)pyrrole-2,5-dione
CID 20319914
1-(1,1,2,2,2-Pentafluoroethyl)pyrrole-2,5-dione
CID 22182925
1-(Fluoromethyl)pyrrole-2,5-dione
CID 54232428
1-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)pyrrole-2,5-dione
CID 59018754
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)pyrrole-2,5-dione
CID 59018781

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione (CID 139663612) is 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione?
The InChIKey is UFJGGSFXMYMCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2/c8-6(9,7(10,11)12)3-13-4(14)1-2-5(13)15/h1-2H,3H2.
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione?
1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione has a molecular weight of 229.10 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropyl)pyrrole-2,5-dione is sourced from PubChem (CID 139663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).