8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline

C10H10ClF2NS — CID 139601362

IUPAC8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline
SMILESFC(F)SN1CCCc2cccc(Cl)c21
InChIInChI=1S/C10H10ClF2NS/c11-8-5-1-3-7-4-2-6-14(9(7)8)15-10(12)13/h1,3,5,10H,2,4,6H2
InChIKeyADUHMFAFLSRBIX-UHFFFAOYSA-N
MW249.71 g/mol
LogP3.96
Rot. Bonds2

About 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline

8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline (PubChem CID 139601362) has the molecular formula C10H10ClF2NS and a molecular weight of 249.71 g/mol. Its IUPAC name is 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline
PubChem CID139601362
Molecular FormulaC10H10ClF2NS
Molecular Weight249.71 g/mol
Exact Mass249.02
IUPAC Name8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline
SMILESFC(F)SN1CCCc2cccc(Cl)c21
InChIInChI=1S/C10H10ClF2NS/c11-8-5-1-3-7-4-2-6-14(9(7)8)15-10(12)13/h1,3,5,10H,2,4,6H2
InChIKeyADUHMFAFLSRBIX-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite
CID 69431777
1-(2-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63214935
2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
CID 166404156
1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline
CID 24656900
1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609152
1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
CID 166790221
2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324
10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498620
1-(6-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 161249752
8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84624968
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82877379
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline (CID 139601362) is 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline is FC(F)SN1CCCc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline?
The InChIKey is ADUHMFAFLSRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NS/c11-8-5-1-3-7-4-2-6-14(9(7)8)15-10(12)13/h1,3,5,10H,2,4,6H2.
What are the key properties of 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline?
8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline has a molecular weight of 249.71 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(difluoromethylsulfanyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 139601362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).