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

C15H8F3NO2 — CID 166071057

IUPAC1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)11-6-5-9-3-1-2-4-10(9)14(11)19-12(20)7-8-13(19)21/h1-8H
InChIKeyNGDSQJZXCKOGHP-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.29
Rot. Bonds1

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

1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione (PubChem CID 166071057) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
PubChem CID166071057
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)11-6-5-9-3-1-2-4-10(9)14(11)19-12(20)7-8-13(19)21/h1-8H
InChIKeyNGDSQJZXCKOGHP-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.29
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-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione (CID 166071057) is 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1c(C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
The InChIKey is NGDSQJZXCKOGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-15(17,18)11-6-5-9-3-1-2-4-10(9)14(11)19-12(20)7-8-13(19)21/h1-8H.
What are the key properties of 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione has a molecular weight of 291.23 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 166071057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).