3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

C15H9F3N2O — CID 135411930

IUPAC3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)20-14(13)21/h1-8H,(H,19,20,21)
InChIKeyBNSKFCOAYKYHCS-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.78
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one (PubChem CID 135411930) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
PubChem CID135411930
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)20-14(13)21/h1-8H,(H,19,20,21)
InChIKeyBNSKFCOAYKYHCS-UHFFFAOYSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one (CID 135411930) is 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The InChIKey is BNSKFCOAYKYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)20-14(13)21/h1-8H,(H,19,20,21).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one has a molecular weight of 290.24 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135411930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).