5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C15H15F3N2 — CID 143955750

IUPAC5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC=C(c1ccccc1C(F)(F)F)N1CC2=C(CNC2)C1
InChIInChI=1S/C15H15F3N2/c1-10(20-8-11-6-19-7-12(11)9-20)13-4-2-3-5-14(13)15(16,17)18/h2-5,19H,1,6-9H2
InChIKeyPCEJSYHDAMOKMJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.89
Rot. Bonds2

About 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 143955750) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID143955750
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC=C(c1ccccc1C(F)(F)F)N1CC2=C(CNC2)C1
InChIInChI=1S/C15H15F3N2/c1-10(20-8-11-6-19-7-12(11)9-20)13-4-2-3-5-14(13)15(16,17)18/h2-5,19H,1,6-9H2
InChIKeyPCEJSYHDAMOKMJ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 143955750) is 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is C=C(c1ccccc1C(F)(F)F)N1CC2=C(CNC2)C1.
What is the InChIKey of 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is PCEJSYHDAMOKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10(20-8-11-6-19-7-12(11)9-20)13-4-2-3-5-14(13)15(16,17)18/h2-5,19H,1,6-9H2.
What are the key properties of 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 280.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(trifluoromethyl)phenyl]ethenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 143955750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).