1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione

C8H6F3NO2 — CID 106210532

IUPAC1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)7(3-4-7)12-5(13)1-2-6(12)14/h1-2H,3-4H2
InChIKeyALIPEXJEEFPGEF-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.01
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione

1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione (PubChem CID 106210532) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
PubChem CID106210532
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)7(3-4-7)12-5(13)1-2-6(12)14/h1-2H,3-4H2
InChIKeyALIPEXJEEFPGEF-UHFFFAOYSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
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 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione (CID 106210532) is 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
The InChIKey is ALIPEXJEEFPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)7(3-4-7)12-5(13)1-2-6(12)14/h1-2H,3-4H2.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione has a molecular weight of 205.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione is sourced from PubChem (CID 106210532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).