2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane

C8H8F3NS — CID 20650007

IUPAC2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
SMILESFS(F)(F)N1CCc2ccccc21
InChIInChI=1S/C8H8F3NS/c9-13(10,11)12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyMGYOTIQSYWQPFW-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.42
Rot. Bonds1

About 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane

2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane (PubChem CID 20650007) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
PubChem CID20650007
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
SMILESFS(F)(F)N1CCc2ccccc21
InChIInChI=1S/C8H8F3NS/c9-13(10,11)12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyMGYOTIQSYWQPFW-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
2,3-dihydroindol-1-amine;dihydrochloride
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1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
2,3-dihydroindol-1-ylsilane
CID 149251229
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(1-adamantylsulfonyl)-2,3-dihydroindole
CID 4918903
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
CID 50876146

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane?
The IUPAC name of 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane (CID 20650007) is 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane.
What is the SMILES notation for 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane?
The canonical SMILES for 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane is FS(F)(F)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane?
The InChIKey is MGYOTIQSYWQPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c9-13(10,11)12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2.
What are the key properties of 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane?
2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane has a molecular weight of 207.22 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane is sourced from PubChem (CID 20650007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).