1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one

C11H12F3NOS — CID 106432325

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCSC(F)(F)F
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)17-7-6-15-5-4-8-9(15)2-1-3-10(8)16/h4-5H,1-3,6-7H2
InChIKeyNUYBFFOPZBUTIT-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.26
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one

1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 106432325) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
PubChem CID106432325
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCSC(F)(F)F
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)17-7-6-15-5-4-8-9(15)2-1-3-10(8)16/h4-5H,1-3,6-7H2
InChIKeyNUYBFFOPZBUTIT-UHFFFAOYSA-N
XLogP3.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
CID 104765340
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400
1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one
CID 113413211
1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877
1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
CID 114134605
1-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87614502
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
CID 83114594
1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
CID 55053043
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
CID 116622557
1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
CID 102700417
1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
CID 67313523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one (CID 106432325) is 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCSC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is NUYBFFOPZBUTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c12-11(13,14)17-7-6-15-5-4-8-9(15)2-1-3-10(8)16/h4-5H,1-3,6-7H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one?
1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 263.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 106432325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).