7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C9H16FNO2S — CID 140575140

IUPAC7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCS(=O)(=O)C1CC(F)C2NCCC2C1
InChIInChI=1S/C9H16FNO2S/c1-14(12,13)7-4-6-2-3-11-9(6)8(10)5-7/h6-9,11H,2-5H2,1H3
InChIKeyFHYQWWPRFTVCJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.51
Rot. Bonds1

About 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 140575140) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID140575140
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCS(=O)(=O)C1CC(F)C2NCCC2C1
InChIInChI=1S/C9H16FNO2S/c1-14(12,13)7-4-6-2-3-11-9(6)8(10)5-7/h6-9,11H,2-5H2,1H3
InChIKeyFHYQWWPRFTVCJZ-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 140575140) is 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is CS(=O)(=O)C1CC(F)C2NCCC2C1.
What is the InChIKey of 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is FHYQWWPRFTVCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c1-14(12,13)7-4-6-2-3-11-9(6)8(10)5-7/h6-9,11H,2-5H2,1H3.
What are the key properties of 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 221.30 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 140575140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).