6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline

C10H12FNS — CID 167276791

IUPAC6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline
SMILESCSN1CCCc2cc(F)ccc21
InChIInChI=1S/C10H12FNS/c1-13-12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKeyHKDVIQZGSTXHSC-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.86
Rot. Bonds1

About 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline

6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline (PubChem CID 167276791) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline
PubChem CID167276791
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline
SMILESCSN1CCCc2cc(F)ccc21
InChIInChI=1S/C10H12FNS/c1-13-12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKeyHKDVIQZGSTXHSC-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.86
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 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline (CID 167276791) is 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline is CSN1CCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline?
The InChIKey is HKDVIQZGSTXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-13-12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline?
6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline has a molecular weight of 197.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 167276791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).