1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene

C13H10BrFS — CID 4180733

IUPAC1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene
SMILESFc1ccc(CSc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H10BrFS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyIFCHZSXOKYVTJT-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.88
Rot. Bonds3

About 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene

1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene (PubChem CID 4180733) has the molecular formula C13H10BrFS and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene
PubChem CID4180733
Molecular FormulaC13H10BrFS
Molecular Weight297.19 g/mol
Exact Mass295.97
IUPAC Name1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene
SMILESFc1ccc(CSc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H10BrFS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyIFCHZSXOKYVTJT-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene?
The IUPAC name of 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene (CID 4180733) is 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene is Fc1ccc(CSc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene?
The InChIKey is IFCHZSXOKYVTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2.
What are the key properties of 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene?
1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene has a molecular weight of 297.19 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene is sourced from PubChem (CID 4180733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).