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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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).