2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride

C13H15F2NO2S — CID 154787429

IUPAC2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C13H15F2NO2S/c14-10-3-1-4-11-12(10)13(5-2-6-13)9-16(11)7-8-19(15,17)18/h1,3-4H,2,5-9H2
InChIKeyMUHJTBILNYAHNG-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride

2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride (PubChem CID 154787429) has the molecular formula C13H15F2NO2S and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride
PubChem CID154787429
Molecular FormulaC13H15F2NO2S
Molecular Weight287.33 g/mol
Exact Mass287.08
IUPAC Name2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C13H15F2NO2S/c14-10-3-1-4-11-12(10)13(5-2-6-13)9-16(11)7-8-19(15,17)18/h1,3-4H,2,5-9H2
InChIKeyMUHJTBILNYAHNG-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)propan-2-amine
CID 166397619
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine
CID 118051707
[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751636
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 100904348
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
CID 102558277
[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide
CID 166205291
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119765165
(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 25372789

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride (CID 154787429) is 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCN1CC2(CCC2)c2c(F)cccc21.
What is the InChIKey of 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride?
The InChIKey is MUHJTBILNYAHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2S/c14-10-3-1-4-11-12(10)13(5-2-6-13)9-16(11)7-8-19(15,17)18/h1,3-4H,2,5-9H2.
What are the key properties of 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride?
2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride has a molecular weight of 287.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 154787429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).