1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene

C14H12BrFS — CID 132601964

IUPAC1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene
SMILESFc1ccc(SCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrFS/c15-12-3-1-11(2-4-12)9-10-17-14-7-5-13(16)6-8-14/h1-8H,9-10H2
InChIKeyGROKYQMUSMWMHS-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.92
Rot. Bonds4

About 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene

1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene (PubChem CID 132601964) has the molecular formula C14H12BrFS and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene
PubChem CID132601964
Molecular FormulaC14H12BrFS
Molecular Weight311.22 g/mol
Exact Mass309.98
IUPAC Name1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene
SMILESFc1ccc(SCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrFS/c15-12-3-1-11(2-4-12)9-10-17-14-7-5-13(16)6-8-14/h1-8H,9-10H2
InChIKeyGROKYQMUSMWMHS-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene?
The IUPAC name of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene (CID 132601964) is 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene is Fc1ccc(SCCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene?
The InChIKey is GROKYQMUSMWMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFS/c15-12-3-1-11(2-4-12)9-10-17-14-7-5-13(16)6-8-14/h1-8H,9-10H2.
What are the key properties of 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene?
1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene has a molecular weight of 311.22 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-fluorophenyl)sulfanylethyl]benzene is sourced from PubChem (CID 132601964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).