2-[(3,5-difluorophenyl)methylsulfanyl]quinoline

C16H11F2NS — CID 135186490

IUPAC2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
SMILESFc1cc(F)cc(CSc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H11F2NS/c17-13-7-11(8-14(18)9-13)10-20-16-6-5-12-3-1-2-4-15(12)19-16/h1-9H,10H2
InChIKeyRLDIVUNSALYNAM-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.81
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline

2-[(3,5-difluorophenyl)methylsulfanyl]quinoline (PubChem CID 135186490) has the molecular formula C16H11F2NS and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
PubChem CID135186490
Molecular FormulaC16H11F2NS
Molecular Weight287.33 g/mol
Exact Mass287.06
IUPAC Name2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
SMILESFc1cc(F)cc(CSc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H11F2NS/c17-13-7-11(8-14(18)9-13)10-20-16-6-5-12-3-1-2-4-15(12)19-16/h1-9H,10H2
InChIKeyRLDIVUNSALYNAM-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline?
The IUPAC name of 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline (CID 135186490) is 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline?
The canonical SMILES for 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline is Fc1cc(F)cc(CSc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline?
The InChIKey is RLDIVUNSALYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NS/c17-13-7-11(8-14(18)9-13)10-20-16-6-5-12-3-1-2-4-15(12)19-16/h1-9H,10H2.
What are the key properties of 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline?
2-[(3,5-difluorophenyl)methylsulfanyl]quinoline has a molecular weight of 287.33 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methylsulfanyl]quinoline is sourced from PubChem (CID 135186490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).