2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione

C15H8F3NO3 — CID 133057511

IUPAC2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)11-7-3-4-8-12(11)22-19-13(20)9-5-1-2-6-10(9)14(19)21/h1-8H
InChIKeyLSWRTXQBBFDFGW-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.30
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione

2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione (PubChem CID 133057511) has the molecular formula C15H8F3NO3 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione
PubChem CID133057511
Molecular FormulaC15H8F3NO3
Molecular Weight307.23 g/mol
Exact Mass307.05
IUPAC Name2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)11-7-3-4-8-12(11)22-19-13(20)9-5-1-2-6-10(9)14(19)21/h1-8H
InChIKeyLSWRTXQBBFDFGW-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516014
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-(4-phenylphenoxy)isoindole-1,3-dione
CID 154814720
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
(1-methylidene-3-oxoisoindol-2-yl) trifluoromethanesulfonate
CID 21136372
2-aminooxyisoindole-1,3-dione
CID 89054763
1-(trifluoromethyl)-2-(trioxidanyl)benzene
CID 90090686
2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid
CID 43651852
2-(4-chlorophenoxy)isoindole-1,3-dione
CID 15370735
tert-butyl formate;1-[2-(trifluoromethyl)phenoxy]piperidine
CID 175276627
2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione (CID 133057511) is 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
The InChIKey is LSWRTXQBBFDFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO3/c16-15(17,18)11-7-3-4-8-12(11)22-19-13(20)9-5-1-2-6-10(9)14(19)21/h1-8H.
What are the key properties of 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione has a molecular weight of 307.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 133057511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).