3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one

C18H16F3NO2 — CID 156693694

IUPAC3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one
SMILESCC1(CC(O)C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16F3NO2/c1-17(11-15(23)18(19,20)21)13-9-5-6-10-14(13)22(16(17)24)12-7-3-2-4-8-12/h2-10,15,23H,11H2,1H3
InChIKeyZVVLMCASQQMAPN-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.94
Rot. Bonds3

About 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one

3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one (PubChem CID 156693694) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one
PubChem CID156693694
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one
SMILESCC1(CC(O)C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16F3NO2/c1-17(11-15(23)18(19,20)21)13-9-5-6-10-14(13)22(16(17)24)12-7-3-2-4-8-12/h2-10,15,23H,11H2,1H3
InChIKeyZVVLMCASQQMAPN-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one?
The IUPAC name of 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one (CID 156693694) is 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one.
What is the SMILES notation for 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one?
The canonical SMILES for 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one is CC1(CC(O)C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one?
The InChIKey is ZVVLMCASQQMAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-17(11-15(23)18(19,20)21)13-9-5-6-10-14(13)22(16(17)24)12-7-3-2-4-8-12/h2-10,15,23H,11H2,1H3.
What are the key properties of 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one?
3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one has a molecular weight of 335.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-3-(3,3,3-trifluoro-2-hydroxypropyl)indol-2-one is sourced from PubChem (CID 156693694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).