1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione

C15H7ClF3NO2 — CID 166071128

IUPAC1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(C(F)(F)F)ccc2cc(Cl)ccc12
InChIInChI=1S/C15H7ClF3NO2/c16-9-2-3-10-8(7-9)1-4-11(15(17,18)19)14(10)20-12(21)5-6-13(20)22/h1-7H
InChIKeyOUEJCNGZVLMKJF-UHFFFAOYSA-N
MW325.67 g/mol
LogP3.94
Rot. Bonds1

About 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione

1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione (PubChem CID 166071128) has the molecular formula C15H7ClF3NO2 and a molecular weight of 325.67 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
PubChem CID166071128
Molecular FormulaC15H7ClF3NO2
Molecular Weight325.67 g/mol
Exact Mass325.01
IUPAC Name1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(C(F)(F)F)ccc2cc(Cl)ccc12
InChIInChI=1S/C15H7ClF3NO2/c16-9-2-3-10-8(7-9)1-4-11(15(17,18)19)14(10)20-12(21)5-6-13(20)22/h1-7H
InChIKeyOUEJCNGZVLMKJF-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 53.94
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-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione (CID 166071128) is 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1c(C(F)(F)F)ccc2cc(Cl)ccc12.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
The InChIKey is OUEJCNGZVLMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3NO2/c16-9-2-3-10-8(7-9)1-4-11(15(17,18)19)14(10)20-12(21)5-6-13(20)22/h1-7H.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione?
1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione has a molecular weight of 325.67 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 166071128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).