2-(5-bromo-2-fluorophenyl)-1,3-dithiane

C10H10BrFS2 — CID 11403610

IUPAC2-(5-bromo-2-fluorophenyl)-1,3-dithiane
SMILESFc1ccc(Br)cc1C1SCCCS1
InChIInChI=1S/C10H10BrFS2/c11-7-2-3-9(12)8(6-7)10-13-4-1-5-14-10/h2-3,6,10H,1,4-5H2
InChIKeyGBBCHVNXWSTICH-UHFFFAOYSA-N
MW293.23 g/mol
LogP4.46
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-1,3-dithiane

2-(5-bromo-2-fluorophenyl)-1,3-dithiane (PubChem CID 11403610) has the molecular formula C10H10BrFS2 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1,3-dithiane
PubChem CID11403610
Molecular FormulaC10H10BrFS2
Molecular Weight293.23 g/mol
Exact Mass291.94
IUPAC Name2-(5-bromo-2-fluorophenyl)-1,3-dithiane
SMILESFc1ccc(Br)cc1C1SCCCS1
InChIInChI=1S/C10H10BrFS2/c11-7-2-3-9(12)8(6-7)10-13-4-1-5-14-10/h2-3,6,10H,1,4-5H2
InChIKeyGBBCHVNXWSTICH-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1,3-dithiane?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1,3-dithiane (CID 11403610) is 2-(5-bromo-2-fluorophenyl)-1,3-dithiane.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1,3-dithiane?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1,3-dithiane is Fc1ccc(Br)cc1C1SCCCS1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1,3-dithiane?
The InChIKey is GBBCHVNXWSTICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFS2/c11-7-2-3-9(12)8(6-7)10-13-4-1-5-14-10/h2-3,6,10H,1,4-5H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1,3-dithiane?
2-(5-bromo-2-fluorophenyl)-1,3-dithiane has a molecular weight of 293.23 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1,3-dithiane is sourced from PubChem (CID 11403610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).