1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]

C11H10F3NO2S — CID 102449182

IUPAC1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESO=S(=O)(N1CC2(CC2)c2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)18(16,17)15-7-10(5-6-10)8-3-1-2-4-9(8)15/h1-4H,5-7H2
InChIKeyCIFHXEGIERWGFE-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.39
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]

1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] (PubChem CID 102449182) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
PubChem CID102449182
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESO=S(=O)(N1CC2(CC2)c2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)18(16,17)15-7-10(5-6-10)8-3-1-2-4-9(8)15/h1-4H,5-7H2
InChIKeyCIFHXEGIERWGFE-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
4-fluoro-2-methyl-5-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylbenzoic acid
CID 126780461
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
CID 174158811
5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
CID 91643764
1-benzyl-2'-methylidene-1'-(trifluoromethylsulfonyl)spiro[2H-indole-3,3'-pyrrolidine]
CID 71729113
1-chlorospiro[2H-indole-3,1'-cyclopropane]
CID 175936694
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540780
1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540811

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] (CID 102449182) is 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] is O=S(=O)(N1CC2(CC2)c2ccccc21)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is CIFHXEGIERWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c12-11(13,14)18(16,17)15-7-10(5-6-10)8-3-1-2-4-9(8)15/h1-4H,5-7H2.
What are the key properties of 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]?
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 277.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 102449182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).