1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione

C8H2F9NO2 — CID 139543847

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F9NO2/c9-6(10,11)5(7(12,13)14,8(15,16)17)18-3(19)1-2-4(18)20/h1-2H
InChIKeyTZRARXVXQYBFHA-UHFFFAOYSA-N
MW315.09 g/mol
LogP2.34
Rot. Bonds1

About 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione

1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione (PubChem CID 139543847) has the molecular formula C8H2F9NO2 and a molecular weight of 315.09 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
PubChem CID139543847
Molecular FormulaC8H2F9NO2
Molecular Weight315.09 g/mol
Exact Mass314.99
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F9NO2/c9-6(10,11)5(7(12,13)14,8(15,16)17)18-3(19)1-2-4(18)20/h1-2H
InChIKeyTZRARXVXQYBFHA-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione with MolForge

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Related Compounds

1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
CID 130234844
1-(1,2,2,3,3,4,4,4-octafluorobutyl)pyrrole-2,5-dione
CID 88525429
1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione
CID 145018907
1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
CID 106210532
1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
CID 177002738
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione
CID 130475750
1-phosphorosopyrrole-2,5-dione
CID 130463981
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640
1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 141169954
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
CID 11157197
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid
CID 62044403

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione (CID 139543847) is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione?
The InChIKey is TZRARXVXQYBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F9NO2/c9-6(10,11)5(7(12,13)14,8(15,16)17)18-3(19)1-2-4(18)20/h1-2H.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione?
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione has a molecular weight of 315.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 139543847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).