1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline

C10H10F3NO2S — CID 15836554

IUPAC1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(N1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)17(15,16)14-7-3-5-8-4-1-2-6-9(8)14/h1-2,4,6H,3,5,7H2
InChIKeySRSSFJIKWGZCDD-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.29
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline

1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline (PubChem CID 15836554) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
PubChem CID15836554
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(N1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)17(15,16)14-7-3-5-8-4-1-2-6-9(8)14/h1-2,4,6H,3,5,7H2
InChIKeySRSSFJIKWGZCDD-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 3483007
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-fluorobenzoate
CID 9160527
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
CID 102474261
N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865660
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline (CID 15836554) is 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline is O=S(=O)(N1CCCc2ccccc21)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline?
The InChIKey is SRSSFJIKWGZCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)17(15,16)14-7-3-5-8-4-1-2-6-9(8)14/h1-2,4,6H,3,5,7H2.
What are the key properties of 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline?
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline has a molecular weight of 265.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 15836554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).