8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene

C9H8BrFS — CID 84728750

IUPAC8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene
SMILESFC1CCSc2c(Br)cccc21
InChIInChI=1S/C9H8BrFS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5H2
InChIKeyKENIETHJFHBPRM-UHFFFAOYSA-N
MW247.13 g/mol
LogP3.96
Rot. Bonds

About 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene

8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene (PubChem CID 84728750) has the molecular formula C9H8BrFS and a molecular weight of 247.13 g/mol. Its IUPAC name is 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene
PubChem CID84728750
Molecular FormulaC9H8BrFS
Molecular Weight247.13 g/mol
Exact Mass245.95
IUPAC Name8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene
SMILESFC1CCSc2c(Br)cccc21
InChIInChI=1S/C9H8BrFS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5H2
InChIKeyKENIETHJFHBPRM-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene (CID 84728750) is 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene is FC1CCSc2c(Br)cccc21.
What is the InChIKey of 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene?
The InChIKey is KENIETHJFHBPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5H2.
What are the key properties of 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene?
8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene has a molecular weight of 247.13 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 84728750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).