1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione

C16H10F3NO2 — CID 10946670

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)14(21)15(20)22/h1-8H,9H2
InChIKeyOPPBIMDPCPZQQL-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.43
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione

1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione (PubChem CID 10946670) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
PubChem CID10946670
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)14(21)15(20)22/h1-8H,9H2
InChIKeyOPPBIMDPCPZQQL-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione (CID 10946670) is 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
The InChIKey is OPPBIMDPCPZQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)14(21)15(20)22/h1-8H,9H2.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione has a molecular weight of 305.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione is sourced from PubChem (CID 10946670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).