3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one

C16H12F3NO — CID 23612653

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)20-15(13)21/h1-8,13H,9H2,(H,20,21)
InChIKeyXRYBMGWCUXYRJI-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.98
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one

3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one (PubChem CID 23612653) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one
PubChem CID23612653
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)20-15(13)21/h1-8,13H,9H2,(H,20,21)
InChIKeyXRYBMGWCUXYRJI-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one (CID 23612653) is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is XRYBMGWCUXYRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)20-15(13)21/h1-8,13H,9H2,(H,20,21).
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one?
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 291.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 23612653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).