1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C10H17F2NO2S — CID 58435925

IUPAC1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESO=S(=O)(C(F)F)N1CCCC2CCCCC21
InChIInChI=1S/C10H17F2NO2S/c11-10(12)16(14,15)13-7-3-5-8-4-1-2-6-9(8)13/h8-10H,1-7H2
InChIKeyFGERRURAJJNGCW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.19
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 58435925) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID58435925
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC Name1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESO=S(=O)(C(F)F)N1CCCC2CCCCC21
InChIInChI=1S/C10H17F2NO2S/c11-10(12)16(14,15)13-7-3-5-8-4-1-2-6-9(8)13/h8-10H,1-7H2
InChIKeyFGERRURAJJNGCW-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 58435925) is 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is O=S(=O)(C(F)F)N1CCCC2CCCCC21.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is FGERRURAJJNGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c11-10(12)16(14,15)13-7-3-5-8-4-1-2-6-9(8)13/h8-10H,1-7H2.
What are the key properties of 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 253.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 58435925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).